What is Ethylene glycol?

Ethylene glycol (CAS 107-21-1) is a chemical compound with the molecular formula C2H6O2 and a molar mass of 62.07 g/mol. Chemical data from PubChem (National Institutes of Health, USA).

What is the CAS number of Ethylene glycol?

The CAS number (Chemical Abstracts Service) for Ethylene glycol is 107-21-1.

What is the chemical formula of Ethylene glycol?

The molecular formula of Ethylene glycol is C2H6O2. IUPAC name: ethane-1,2-diol.

Where to buy Ethylene glycol (CAS 107-21-1)?

Ethylene glycol (CAS 107-21-1) is available at Eapearl Chemical: https://epchems.online/products/ethylene-glycol/. Current price and availability information can be found on the product page.

Ethylene glycol

CAS 107-21-1 EC 203-473-3 C2H6O2 Alcohol CLP Warning

📄 Download SDS Card (PDF)

MolGod_SDSCARD_1

REACH 2020/878

v1 · 22.09.2026

Specification

Product Name	Ethylene glycol
Other Names	EG
CAS No.	107-21-1
EINECS No.	203-473-3
MF	C2H6O2
Molecular weight	62.07
Purity	99.50%
Appearance	Colorless liquid
Density	1.124 g/mL at 20 °C 1.124 g/mL at 20 °C
Melting point	-13 °C (lit.)
Boiling point	195-198 °C
Flashing point	230°F

Values are typical for the standard grade. Tighter specifications are available — state the target in your inquiry and we confirm against the production batch.

Hazard classification

Warning

Harmonised classification (EU) — ECHA Annex VI (harmonised, ATP 23; 2026-07-07)

H302 Harmful if swallowed

Precautionary statements (24)

P264 Wash thoroughly after handling
P270 Do not eat, drink or smoke when using this product
P301+P317
P330 Rinse mouth
P501 Dispose of contents/container to an approved waste collection point
P260 Do not breathe dust/fume/gas/mist/vapours/spray
P319
P261 Avoid breathing dust/fume/gas/mist/vapours/spray
P264+P265
P271 Use only outdoors or in a well-ventilated area
P280 Wear protective gloves/protective clothing/eye protection/face protection
P302+P352
P304+P340
P305+P351+P338
P308+P316
P317
P321 Specific treatment
P332+P317
P337+P317
P362+P364
P403+P233
P405 Store locked up
P203 Obtain, read and follow all safety instructions before use
P318

European Chemicals Agency. "ethanediol; ethylene glycol, Index No. 603-027-00-1." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Packaging and shipping

Drum225 kg

IBC Drum1127 kg

ISO tank (20ft)24–26 m³

ISO tank (40ft)48–50 m³

Our Ethylene Glycol (EG) is a colorless, odorless, hygroscopic organic compound belonging to the glycol family. It is widely utilized in numerous industrial and commercial applications due to its excellent hygroscopicity, high boiling point, reliable chemical stability and low volatility.
Our EG boasts strong moisture absorption ability and excellent solubility, making it an indispensable raw material for various industrial formulations and manufacturing systems.
It is primarily applied as a core feedstock for the production of polyester fibers, polyethylene terephthalate (PET) resins and engine antifreeze fluids. Moreover, it is extensively used in the production of polyester plastics, heat transfer fluids and industrial solvents, serving the textile, packaging, automotive and general chemical industries with stable and reliable performance.

Ethylene Glycol (EG) multi-industry solution provider | Offers a full range of product specifications, including antifreeze, polyester, resin, etc. | Stable supply chain

Product Description

Ethylene glycol is an important organic chemical raw material, mainly used for the production of polyester products (such as polyester fibers and polyester resins), automotive and industrial antifreeze, solvents (for paints, inks, cosmetics, etc.), and as an intermediate for synthesizing other chemicals. The following is a detailed explanation of its main uses and functions:

Polyester product production: Ethylene glycol reacts with terephthalic acid through condensation to form polyethylene terephthalate (PET), which is a key raw material for producing polyester fibers (polyester) and polyester resins. Polyester fibers are widely used in the textile industry, while polyester resins are used in fields such as coatings, adhesives, and fiberglass, enhancing the hardness, corrosion resistance, and other properties of the coatings.

Antifreeze field: Ethylene glycol is one of the main components of automotive antifreeze, and when mixed with water, it significantly lowers the freezing point, preventing engine freezing in low temperatures, and also increases the boiling point. In industry, it is also used as a coolant in cooling systems for chemical, pharmaceutical, and other industries.

Ethylene Glycol (EG) multi-industry solution provider | Offers a full range of product specifications, including antifreeze, polyester, resin, etc. | Stable supply chain

Delivery&Payment method

Ethylene Glycol (EG) multi-industry solution provider | Offers a full range of product specifications, including antifreeze, polyester, resin, etc. | Stable supply chain

Frequently asked

In what packaging is Ethylene glycol shipped?

Standard formats are Drum (225 kg), IBC Drum (1127 kg), ISO tank (20ft) (24–26 m³), ISO tank (40ft) (48–50 m³). Other packaging can be arranged for full-container orders.

Is a safety data sheet available for Ethylene glycol?

Yes, on request. Safety data sheets are issued per grade and destination market; state the country of import in your inquiry.

What purity do you supply?

The standard grade is 99.50%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Ethylene glycol

Is triethylene glycol hazardous? TEG facts

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Glycol coolant: seasonal buying and fluid management

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Glycol ethers in de-icing fluids

Propylene glycol ethyl ether is not the freezing-point depressant in an anti-freeze fluid. Here is what a glycol…

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Where diethylene glycol comes from, and how it travels

Diethylene glycol is a co-product of ethylene glycol manufacture, so it exists in volume whether anyone orders it…

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PPG (400/700/1000/2000/3000/4000)

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🧬 3D Molecule Visualizer

Data transcribed from regulatory registers and technical literature, with the source and edition stated. It does not replace the supplier's safety data sheet. Fields without a recorded source are marked as such.

📊 Physicochemical data — CAS 107-21-1MolGod_PROPHUB_MAIN

📊 Physicochemical properties

Quick Reference

Formula: C₂H₆O₂

MW: 62.07 g/mol

CAS: 107-21-1

Appearance: Clear, colorless, syrupy, liquid [Note: A solid below 9 degrees F].

Odour: Odorless

Detailed Properties

A supplement to the „Physicochemical properties (database)” table below — repeated values are shown only once.

Property	Value	Unit	Conditions	Source
Viscosity (η)	/p>PEG 400: 105 to 130 mPa.s at 20 °C; PEG 3000: 75 to 100 mPa.s at 20 °C; PEG 3350: 83 to 120 mPa.s at 20 °C; PEG 4000: 110 to 170 mPa.s at 20 °C; PEG 6000: 200 to 270 mPa.s at 20 °C; PEG 8000: 260 to 510 mPa.s at 20 °C; For polyethylene glycols having a average molecular weight greater than 400, the viscosity is determined on a 50 per cent m/m solution of the candidate substance in water			EU Food Improvement Agents ↗
Refractive Index (n_D)	1.4318^[1]^[2]		20 °C, D-line	Yaws Handbook 2nd ed. (2014)

🔬 Advanced Properties

Chemical Identifiers

SMILES: C(CO)O

InChI: InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

InChIKey: LYCAIKOWRPUZTN-UHFFFAOYSA-N

Data sources: EU Food Improvement Agents, Yaws Handbook 2nd ed. (2014)

Last updated: unconfirmed

📚 Scientific references (Chicago Author-Date) (2 sources)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Refractive Index (nD)
Yaws, C.L. Thermophysical Properties of Chemicals and Hydrocarbons. 2nd ed. Amsterdam: Elsevier (Gulf Professional Publishing), 2014. dotyczy: Refractive Index (nD)

Property	Value	Unit	Conditions	Source
Melting point	-12.9 ^[1]^[2]^[3]	°C	1 atm	Yaws Handbook 2nd ed. (2014)
Boiling point	197.3 ^[1]^[2]^[3]	°C	760 mmHg	Yaws Handbook 2nd ed. (2014)
Water solubility	miscible ^[1]	—	qualitative description (no numerical value)	Yaws Handbook 2nd ed. (2014)
Density (ρ)	1.1132 ^[1]^[3]	g/cm³	20°C	Yaws Handbook 2nd ed. (2014)
Refractive index (n_D)	1.4318 ^[1]^[3]	—	20°C, sodium D	Yaws Handbook 2nd ed. (2014)
Viscosity (η)	16.1 ^[1]	cP	25°C	Yaws Handbook 2nd ed. (2014)
Vapor pressure	0.092 ^[1]	mmHg	25°C	Yaws Handbook 2nd ed. (2014)
Flash point	111 ^[3]	°C	closed cup	No primary source
Autoignition temperature	398	°C	in air	No primary source
pKa₁	14.22	—		No primary source
logP (octanol/water)	-1.36	—		No primary source
logD (pH 7)	-1.36 ^[1]	—	pH 7	Yaws Handbook 2nd ed. (2014)
Dielectric constant (ε)	37.7 ^[1]	—		Yaws Handbook 2nd ed. (2014)
Surface tension	47.7 ^[1]	mN/m		Yaws Handbook 2nd ed. (2014)
Specific heat (cp)	2.395 ^[1]	J/(g·K)		Yaws Handbook 2nd ed. (2014)
Thermal conductivity (k)	0.258 ^[1]	W/(m·K)		Yaws Handbook 2nd ed. (2014)
Dipole moment (μ)	2.2 ^[1]	D		Yaws Handbook 2nd ed. (2014)
ΔH vaporization	50.5 ^[1]	kJ/mol		Yaws Handbook 2nd ed. (2014)
ΔH fusion	11.23 ^[1]	kJ/mol	at mp	Yaws Handbook 2nd ed. (2014)
Critical temperature (Tc)	446.9 ^[1]	°C	critical point	Yaws Handbook 2nd ed. (2014)
Critical pressure (Pc)	80 ^[1]	bar	critical point	Yaws Handbook 2nd ed. (2014)
Acentric factor (ω)	0.487 ^[1]	—	Pitzer	Yaws Handbook 2nd ed. (2014)
Ethanol solubility	miscible ^[1]	—	qualitative description (no numerical value)	Yaws Handbook 2nd ed. (2014)

Chemical Overview: Ethylene GlycolMolGod_OVERVIEW_1

Molecular formula	C₂H₆O₂^[1]
Molecular weight	62.07 g/mol^[1]
Melting point	-12.9 °C^[1]^[2]^[3]
Boiling point	197.3 °C (760 mmHg)^[1]^[2]^[3]
Density	1.1132 g/cm³^[1]^[3]
LogP (lipophilicity)	-1.36^[1]
pKa	14.22
IUPAC name	ethane-1,2-diol^[1]
SMILES	`C(CO)O`^[1]
InChIKey	`LYCAIKOWRPUZTN-UHFFFAOYSA-N`^[1]

Synonyms: ETHYLENE GLYCOL · Ethane-1,2-diol · 107-21-1 · 1,2-ethanediol · glycol

Data sources: PubChem (NLM/NIH), Yaws Handbook 2nd ed. (2014)
Last updated: 2026-09-21

📚 Scientific references (Chicago Author-Date) (3 sources)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: Molecular formula · Molecular weight · Melting point · Boiling point · Density · LogP (lipophilicity) · IUPAC name · SMILES · InChIKey
NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ dotyczy: Melting point · Boiling point
Yaws, C.L. Thermophysical Properties of Chemicals and Hydrocarbons. 2nd ed. Amsterdam: Elsevier (Gulf Professional Publishing), 2014. dotyczy: Melting point · Boiling point · Density

SCIENTIFIC RESEARCH

[1]Europe PMC2021

Reference Correlation for the Viscosity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 465 K and up…

et al.. (2021). "Reference Correlation for the Viscosity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 465 K and up to 100 MPa.". https://doi.org/10.1007/s10765-021-02867-0

[2]Europe PMC2021

Reference Correlation for the Thermal Conductivity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 475 K and…

et al.. (2021). "Reference Correlation for the Thermal Conductivity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 475 K and Pressures up to 100 MPa.". https://doi.org/10.1007/s10765-02

[3]Doaj2021

Activation of NRF2/HO-1 Pathway by aqueous methanolic leaf extract of Triclisia gilletii and selected identified compounds in Triclisia…

Olanrewaju Sam Olayeriju, Olusola Olalekan Elekofehinti, Mary Tolulope Olaleye et al.. (2021). "Activation of NRF2/HO-1 Pathway by aqueous methanolic leaf extract of Triclisia gilletii and selected id

[4]Doaj2021

The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5

Clark Candyce R., Hosten Eric C., Betz Richard. (2021). "The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropana

[5]Doaj2020

New Insights into the Structure of Glycols and Derivatives: A Comparative X-Ray Diffraction, Raman and Molecular Dynamics Study…

Lorenzo Gontrani, Pietro Tagliatesta, Antonio Agresti et al.. (2020). "New Insights into the Structure of Glycols and Derivatives: A Comparative X-Ray Diffraction, Raman and Molecular Dynamics Study o

[6]Doaj2020

Effect of moonseed vine (Triclisia gilletii Staner) on ethane-1,2-diol-induced urolithiasis and its renotoxicity in Wistar albino rats

O. S. Olayeriju, O. O. Crown, O. O. Elekofehinti et al.. (2020). "Effect of moonseed vine (Triclisia gilletii Staner) on ethane-1,2-diol-induced urolithiasis and its renotoxicity in Wistar albino rats

[7]Doaj2018

catena-Poly[[[bis(glycolato-κ2O,O′)copper(II)]-μ-4,4′-bipyridine-κ2N:N′] ethane-1,2-diol monosolvate]

Kai-Long Zhong. (2018). "catena-Poly[[[bis(glycolato-κ2O,O′)copper(II)]-μ-4,4′-bipyridine-κ2N:N′] ethane-1,2-diol monosolvate]". IUCrData. https://doi.org/10.1107/S2414314618016322

[8]CrossRef2017

Diffusion coefficient of ethane-1,2-diol into water and ethane-1,2-diol solution

Jochen Winkelmann. (2017). "Diffusion coefficient of ethane-1,2-diol into water and ethane-1,2-diol solution". Diffusion in Gases, Liquids and Electrolytes. https://doi.org/10.1007/978-3-540-73735-3_1

📚 Scientific references (Chicago Author-Date) 19 refs · 3 baz

MOLECULE Per-CAS bibliography (live from 13+ databases)

Sources: db:Europe PMC (9) · db:doaj (5) · db:crossref (5)

db:Europe PMC et al.. (2021). "Reference Correlation for the Viscosity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 465 K and up to 100 MPa.". https://doi.org/10.1007/s10765-021-02867-0 →
db:Europe PMC et al.. (2021). "Reference Correlation for the Thermal Conductivity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 475 K and Pressures up to 100 MPa.". https://doi.org/10.1007/s10765-021-02904-y →
db:doaj Olanrewaju Sam Olayeriju, Olusola Olalekan Elekofehinti, Mary Tolulope Olaleye et al.. (2021). "Activation of NRF2/HO-1 Pathway by aqueous methanolic leaf extract of Triclisia gilletii and selected identified compounds in Triclisia gilletii, modulates crystal binding genes (CD44/OPN) in Ethane-1,2-diol-induced nephrolithic rats". Phytomedicine Plus. https://doi.org/10.1016/j.phyplu.2021.100066 →
db:doaj Clark Candyce R., Hosten Eric C., Betz Richard. (2021). "The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5". Zeitschrift für Kristallographie - New Crystal Structures. https://doi.org/10.1515/ncrs-2020-0529 →
db:Europe PMC et al.. (2020). "New Insights Into the Structure of Hydroxylated and Alkylated Glycols: A Comparative X-ray Diffraction, Raman and Molecular Dynamics Study of Ethane-1,2-Diol, 2-Methoxyethan-1-ol and 1,2-Dimethoxy Ethane". https://doi.org/10.20944/preprints202010.0071.v1 →
db:doaj Lorenzo Gontrani, Pietro Tagliatesta, Antonio Agresti et al.. (2020). "New Insights into the Structure of Glycols and Derivatives: A Comparative X-Ray Diffraction, Raman and Molecular Dynamics Study of Ethane-1,2-Diol, 2-Methoxyethan-1-ol and 1,2-Dimethoxy Ethane". Crystals. https://doi.org/10.3390/cryst10111011 →
db:doaj O. S. Olayeriju, O. O. Crown, O. O. Elekofehinti et al.. (2020). "Effect of moonseed vine (Triclisia gilletii Staner) on ethane-1,2-diol-induced urolithiasis and its renotoxicity in Wistar albino rats". African Journal of Urology. https://doi.org/10.1186/s12301-020-0018-x →
db:doaj Kai-Long Zhong. (2018). "catena-Poly[[[bis(glycolato-κ2O,O′)copper(II)]-μ-4,4′-bipyridine-κ2N:N′] ethane-1,2-diol monosolvate]". IUCrData. https://doi.org/10.1107/S2414314618016322 →
db:crossref Jochen Winkelmann. (2017). "Diffusion coefficient of ethane-1,2-diol into water and ethane-1,2-diol solution". Diffusion in Gases, Liquids and Electrolytes. https://doi.org/10.1007/978-3-540-73735-3_1133 →
db:crossref Christian Wohlfarth. (2017). "Viscosity of the binary liquid mixture of ethane-1,2-diol and propane-1,2-diol". Viscosity of Pure Organic Liquids and Binary Liquid Mixtures. https://doi.org/10.1007/978-3-662-49218-5_768 →
db:crossref Christian Wohlfarth. (2017). "Viscosity of the binary liquid mixture of ethane-1,2-diol and ethane-1,2-diamine". Viscosity of Pure Organic Liquids and Binary Liquid Mixtures. https://doi.org/10.1007/978-3-662-49218-5_764 →
db:crossref Christian Wohlfarth. (2017). "Viscosity of the binary liquid mixture of ethane-1,2-diol and propane-1,3-diol". Viscosity of Pure Organic Liquids and Binary Liquid Mixtures. https://doi.org/10.1007/978-3-662-49218-5_769 →
db:Europe PMC (2013). "Poly[aqua-(μ2-4,4'-bipyridine-κ(2) N:N')(ethane-1,2-diol-κO)(μ2-sulfato-κ(2) O:O')nickel(II)].". https://doi.org/10.1107/s1600536813003772 →
db:Europe PMC (2013). "Poly[diaqua-bis-(μ-4,4'-bipyridine-κ(2) N:N')bis-(ethane-1,2-diol-κO)bis(μ-sulfato-κ(2) O:O')dicobalt(II)].". https://doi.org/10.1107/s1600536813006685 →
db:Europe PMC (2010). "Bis(2,2'-bipyridyl-κN,N')(sulfato-κO,O')zinc(II) ethane-1,2-diol solvate.". https://doi.org/10.1107/s1600536809055433 →
db:Europe PMC et al.. (2000). "Lipase-catalyzed transesterification of 2-hydroxy-2-(pentafluorophenyl)acetonitrile leading to (1R,2R)- and (1S,2S)-bis(pentafluorophenyl)ethane-1,2-diol". https://doi.org/10.1021/jo9918551 →
db:crossref Kajal Krishna Rajak, Sujit Mondal, Sankar Prasad Rath. (2000). "Synthesis, structure and properties of mononuclear oxovanadium(V) alkoxides incorporating chelated ethane-1,2-diol and propane-1,3-diol". Polyhedron. https://doi.org/10.1016/s0277-5387(00)00336-3 →
db:Europe PMC (1998). "Synthesis of alpha,alpha-, alpha,Beta-, and Beta,Beta-(dimaltoside)s of ethane-1,2-diol, propane-1,3-diol, and butane-1,4-diol: a proposal for an initial adhesion mode.". https://doi.org/10.1016/s0008-6215(98)00191-8 →
db:Europe PMC (1989). "Simple enzymatic screening assay for ethylene glycol (ethane-1,2-diol) in serum.". https://doi.org/10.1016/0009-8981(89)90153-8 →

Regulatory status of the substance

This substance is subject to regulatory requirements: hazardous waste management (BDO register). Details in the \"Regulatory Status (REACH/ECHA/CLP)\" section and on the SDS. Regulatory information — does not restrict purchase in this store.

🧮 Stoichiometry CalculatorMolGod_STOICH_1

🧪 Chemical DataMolGod_CHEMDATA_1

CAS Number: 107-21-1
Molecular formula: C2H6O2
Molar mass: 62.07 g/mol
IUPAC name (EN): ethane-1,2-diol
SMILES: C(CO)O
InChIKey: LYCAIKOWRPUZTN-UHFFFAOYSA-N

📚 Scientific literature (10 articles)MolGod_LITSCI_1

🔓

Reference Correlation for the Viscosity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 465 K and up to 100 MPa. 7 citations

et al. · (2021)

DOI ↗PubMed ↗PDF ↗

🔓

Reference Correlation for the Thermal Conductivity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 475 K and Pressures up to 100 MPa. 3 citations

et al. · (2021)

DOI ↗PubMed ↗PDF ↗

🔒

Simple enzymatic screening assay for ethylene glycol (ethane-1,2-diol) in serum. 17 citations

(1989)

DOI ↗PubMed ↗

🔒

Synthesis of alpha,alpha-, alpha,Beta-, and Beta,Beta-(dimaltoside)s of ethane-1,2-diol, propane-1,3-diol, and butane-1,4-diol: a proposal for an initial adhesion mode. 10 citations

(1998)

DOI ↗PubMed ↗

🔓

New Insights Into the Structure of Hydroxylated and Alkylated Glycols: A Comparative X-ray Diffraction, Raman and Molecular Dynamics Study of Ethane-1,2-Diol, 2-Methoxyethan-1-ol and 1,2-Dimethoxy Ethane

et al. · (2020)

DOI ↗PDF ↗

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📡 Data sourcesMolGod_SOURCES_1

The data in this widget comes from the following verified scientific sources:

PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
NIST WebBook — National Institute of Standards and Technology, USA

Data is cached locally for speed — the widget also works offline.

⚗️ Physicochemical propertiesMolGod_PHYSTAB_2

Temp. wrzenia: 197.4
Temp. topnienia: -12.2
Density: 1.114

Source: PubChem, NIST WebBook. Last updated: date not confirmed

🔍 External identifiersMolGod_EXTID_1

14 of 16 ID systems88%

Database	Identifier	Actions
CAS Registry Number	107-21-1	Open →
PubChem CID	174^[1]	Open →
InChIKey	LYCAIKOWRPUZTN-UHFFFAOYSA-N^[1]	Open →
InChI	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2^[1]
SMILES	C(CO)O^[1]
EC Number	203-473-3^[2]	Open →
ChEMBL	CHEMBL457299^[3]	Open →
KEGG Compound	C01380	Open →
HMDB	HMDB0037790	Open →
ChemSpider	13835235^[4]	Open →
MeSH UID (NLM)	D019855	Open →
UNII (FDA)	FC72KVT52F	Open →
NSC Number (NCI)	93876	Open →
WikiData QID	Q194207	Open →

Sources: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Scientific references (Chicago Author-Date) (4 sources)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ dotyczy: PubChem CID · InChIKey · InChI · SMILES
ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number
ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. ↗ dotyczy: ChEMBL
ChemSpider. Royal Society of Chemistry, chemical structure database. ↗ dotyczy: ChemSpider

Dalsza literatura

Publications thematically related to this CAS. They are not the source of any value given on this card.

Extended Bibliography (6)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Chivin, Sun. "Synthesis of spirosilicates directly from silica and ethylene glycol/ethylene glycol derivatives.". https://doi.org/10.58837/chula.the.2000.1699. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "All-Atom Molecular Dynamics Simulations of Poly(ethylene glycol) Networks in Water for Evaluating Negative Energetic Elasticity.". https://doi.org/10.1021/acs.macromol.3c01121.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) Copolymer 2D Single Network at the AirWater Interface.". https://doi.org/10.1021/acs.langmuir.0c01398.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) Copolymer 2D Single Network at the AirWater Interface.". https://doi.org/10.1021/acs.langmuir.0c01398.s002. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Identification of Poly(ethylene glycol) and Poly(ethylene glycol)-Based Detergents Using Peptide Search Engines.". https://doi.org/10.1021/acs.analchem.8b00365.s007. link [accessed: 2026-09-23] CC0 (metadata)
★☆☆☆☆ CANONICAL_PAPERS ❓ ? ❓ unverified Liubimovskii SO; Novikov VS; Ustynyuk LY et al.. 2023. "Raman structural study of ethylene glycol and 1,3-propylene glycol aqueous solutions." Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. link [accessed: 2026-09-23]

📡 Spectroscopy — CAS 107-21-1MolGod_SPECHUB_MAIN

📊 Spectroscopic spectra databases — inline data 9 sources MolGod_SPECDB_2

Spectra are fetched on demand from 9 sources. Each spectrum is stored in our database — the next time it is opened there are zero requests to the external API. Download JCAMP-DX / CSV / PNG for every spectrum without searching.

IR IR (Infrared) — NIST WebBook

Public domain (US Federal)

▶ Click to load spectrum

🔗 Source

— points

📚 NIST Chemistry WebBook, SRD 69

MS (NIST) Mass Spectrum (EI) — NIST WebBook

Public domain (US Federal)

▶ Click to load spectrum

🔗 Source

— points

📚 NIST Standard Reference Database 1A

UV-Vis UV/Visible Absorption — NIST WebBook

Public domain (US Federal)

▶ Click to load spectrum

🔗 Source

— points

📚 NIST Chemistry WebBook, SRD 69

¹H NMR NMR (¹H, ¹³C) — NMRShiftDB

CC-BY-SA 4.0

▶ Click to load spectrum

🔗 Source

— points

📚 Steinbeck C et al. (2003) J. Chem. Inf. Comput. Sci. 43(1):10–16 DOI: 10.1021/ci025588g

MS (MoNA) MoNA — MassBank of North America

CC-BY 4.0

▶ Click to load spectrum

🔗 Source

— points

📚 MassBank of North America (UC Davis) DOI: 10.1002/jms.1777

IR/NMR/MS (SDBS) SDBS — Spectral Database for Organic Compounds (Japan AIST)

Free for non-commercial

Reference source — no public API. Open in an external database:

🔗 IR/NMR/MS (SDBS) →

📚 SDBSWeb: https://sdbs.db.aist.go.jp (AIST, Japan)

JP Monograph Japanese Pharmacopoeia — Monographs

Reference only

Reference source — no public API. Open in an external database:

🔗 JP Monograph →

📚 Japanese Pharmacopoeia 18th Edition (2021)

WHO INN WHO — International Nonproprietary Names

WHO Model Lists (free)

Reference source — no public API. Open in an external database:

🔗 WHO INN →

📚 WHO INN Programme

DOAJ DOAJ — Directory of Open Access Journals

OA journal index (mixed)

Reference source — no public API. Open in an external database:

🔗 DOAJ →

📚 DOAJ — doaj.org

🔬 Interactive spectra (live — NIST / MoNA / NMRShiftDB / SDBS) (2)

Data retrieved live from multiple sources (priority chain). JCAMP-DX / CSV / PNG available for download under each spectrum. ⓘ Single source ★★☆☆☆ ⓘ Single source ★★☆☆☆

IR — Fourier-transform infrared

Loading IR — Fourier-transform infrared…

MS — Mass spectrometry (EI 70eV)

Loading MS — Mass spectrometry (EI 70eV)…

Structural propertiesMolGod_STRUCT3D_1

Loading structural data...

❓ Frequently asked questions (3)MolGod_FAQ_1

What is 107-21-1?

107-21-1 (CAS 107-21-1) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

Helpful?

What is the CAS number of 107-21-1?

The CAS number for 107-21-1 is 107-21-1. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

Helpful?

How should 107-21-1 be stored?

107-21-1 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.

Helpful?

➕ Suggest a question

Download structure filesMolGod_STRDL_1

Molecular structure files from the PubChem database (NIH). Compatible with Avogadro, PyMOL, Jmol, and ChemDraw.

📄 .SDF 📄 .MOL 📈 3D JSON 🌐 More formats (PubChem)

Source: PubChem, National Library of Medicine (NIH). CID: 174

🔄 Concentration unit converter LIVE MolGod_UNITCONV_1

Enter the Ethylene Glycol concentration in any unit — the rest will be calculated automatically.

MW: 62.07 g/mol · IUPAC Gold Book ↗

⚗️ Conversion formulas + citations (per formula)

Conversion	Formula	Accuracy	Source
% (w/v) ↔ molarity	c (mol/L) = (% × 10) / MW	±0.5% rel. when density ≈ 1.0 g/mL	IUPAC (2019)
millimolar ↔ molar	c (mol/L) = mM × 10⁻³	Exact	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
molarity (mol/L)	c = n/V = (m/MW)/V	±0.1% (depends on MW precision)	IUPAC (2019)
parts per million (mg/L) ↔ molarity	c (mol/L) = ppm / (1000 × MW); equivalently ppm = mg/L for dilute aqueous	±1% (density-independent for dilute solutions)	IUPAC (2019)
mg/mL ↔ molarity	c (mol/L) = (mg/mL × 1000) / MW / 1000 = mg/mL / MW × 1	±0.2%	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarity	c (mol/L) = (g/L) / MW	±0.1% (depends on MW precision)	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarity	c (mol/L) = mmol/L × 10⁻³	Exact	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ Kelvin	T(K) = t(°C) + 273.15	±0.01 K (ITS-90 scale)	BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ Fahrenheit	T(°F) = T(°C) × 9/5 + 32	±0.1 °F	Thompson A, Taylor BN (2008)
density-corrected % ↔ molarity	c (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL	±0.1% when ρ known to 3 decimals	Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)

📚 Bibliography (8 authoritative sources)

Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008
→ Primary SI standard for US scientific usage
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7
→ Canonical IUPAC guide for chemistry quantities/units
BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗
→ International SI definitions (incl. redefined kilogram 2019)
ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗
→ General rules for physical quantities and units
ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗
→ Concentration / molality / amount-of-substance conventions
Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010
→ Avogadro, gas constant, molar volume (2019 SI revision)
IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook
→ Definitions of mass fraction, molality, normality, ppm, activity
Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5
→ Historical predecessor of IUPAC Green Book

Similar molecular structuresMolGod_SIMSTR_1

Loading similar structures...

🧪 Solution Preparation Wizard WIZARD MolGod_PREP_1

① Select concentration

② Target volume

③ Solvent

Calculations per: IUPAC Gold Book ↗, Merck ↗

Computational chemistryMolGod_COMPCHEM_1

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🛡️ Safety — CAS 107-21-1MolGod_SAFEHUB_MAIN

Data limitations notice. The safety information on this page is for reference only and does not replace a full safety data sheet (SDS). Before using the product, consult the manufacturer's current safety data sheet and the GHS/CLP guidance. The CLP classification applies to the pure bulk substance, not to commercial formulations.

GHS/CLP classification — Regulation (EC) No 1272/2008 + UN GHS Rev. 9 (2021).

⚠ Warning

GHS07 Irritant / harmful

🚨 Hazard statements (H)

H302 — Harmful if swallowed

🛡 Precautionary statements (P)

P264 — Wash thoroughly after handling
P260 — Do not breathe dust/fume/gas/mist/vapours/spray
P203 — Obtain, read and follow all safety instructions before use
P261 — Avoid breathing dust/fume/gas/mist/vapours/spray

✓ Harmonised classification pursuant to Annex VI of the CLP Regulation (EC) 1272/2008 (official, binding classification). Index number: 603-027-00-1.

Reference (Chicago): European Chemicals Agency. "ethanediol; ethylene glycol, Index No. 603-027-00-1." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.

Translations: CLP Regulation (EC) 1272/2008, Annexes III and IV. Data: PubChem/NLM.

♻️ Chemical waste disposal Irritant

📋 EWC code (European Waste Catalogue):
16 05 06* Laboratory and analytical chemicals (reagents) containing hazardous substances

A code with an asterisk (*) = hazardous waste requiring BDO registration + a transport protocol (Waste Transfer Card).

🌍 Environmental hazard: NO

💧 Risk of water contamination: YES

🌱 Risk of soil contamination: NO

🚫 NOT down the drain: YES

⚠️ Large spill — HAZMAT response: NO

📚 Scientific references (Chicago Author-Date)

European Commission. 2014. Commission Decision 2014/955/EU on the list of waste pursuant to Directive 2008/98/EC. Official Journal of the European Union. Decyzja 2014/955/UE. [link ↗] — European List of Waste (LoW) — 6-digit EWC codes + asterisk for hazardous
Ministerstwo Klimatu i Środowiska Rzeczypospolitej Polskiej. 2020. Rozporządzenie Ministra Klimatu z dnia 2 stycznia 2020 r. w sprawie katalogu odpadów. Dziennik Ustaw RP 2020 poz. 10. [link ↗] — Polish waste catalogue — implementation of Decision 2014/955/EU
Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych. Ministerstwo Klimatu i Środowiska. [link ↗] — Central register of the Polish Waste Database (BDO) — full list of companies authorised for waste management
Poland — Sejm of the Republic of Poland. 2012. Act of 14 December 2012 on waste. Journal of Laws (Dz.U.) 2013 item 21 (as amended). [link ↗] — National act — defines the waste producer's obligations + registration in the Polish Waste Database (BDO)
Furr, A. Keith, ed.. 2000. CRC Handbook of Laboratory Safety. CRC Press. — Laboratory waste classification + segregation procedures (Waste Management chapter); EN 374:2013 glove standards for personnel handling hazardous waste.
Pohanish, Richard P.. 2017. Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens. Elsevier. — Per-CAS waste classification + incompatibilities — input for EWC mapping.
Lewis, Richard J.. 2012. Sax's Dangerous Properties of Industrial Materials. Wiley. — Reactivity + storage compatibility of waste (oxidisers vs flammables — separate streams).
NIOSH. 2024. Pocket Guide to Chemical Hazards. U.S. Department of Health and Human Services. [link ↗] — PEL/REL/IDLH per CAS — basis for the PPE required during waste transport (KPO — Waste Transfer Card).
OSHA. 2024. Occupational Chemical Database — Hazardous Waste Operations (HAZWOPER). Occupational Safety and Health Administration. [link ↗] — 29 CFR 1910.120 — training + PPE for handling hazardous waste.
European Parliament and Council. 2008. Directive 2008/98/EC on waste (Waste Framework Directive). Official Journal of the European Union L 312/3. [link ↗] — Waste management hierarchy (prevention → recovery → disposal); defines "hazardous waste".
European Parliament and Council. 2009. Regulation (EC) No 1272/2008 (CLP) on classification, labelling and packaging of substances and mixtures. Official Journal of the European Union L 353. [link ↗] — CLP H-statement classification → mapping to EWC * (asterisk = hazardous).
United Nations Economic Commission for Europe (UNECE). 2023. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR 2025). UNECE. [link ↗] — ADR — requirements for transporting hazardous waste (KPO — Waste Transfer Card + UN number + classes 1–9).
IPCS INCHEM. 2024. International Programme on Chemical Safety — Waste Management Guidelines. WHO/UNEP/ILO. [link ↗] — International guidelines for neutralisation + disposal per CAS.
European Parliament and Council. 2006. Regulation (EC) No 1013/2006 on Shipments of Waste. Official Journal of the European Union L 190: 1–98. [link ↗] — Cross-border transfer of hazardous waste — notification + consent requirements before export

📋 Regulatory compliance checklist Irritant 1 required 7 items

ℹ️ Regulatory obligations checklist for CAS 107-21-1. Status based on: ADR 2025 (Table A), REACH Annex XVII, CLP Annex VI (harmonised classification), hazard class from the m14-spill DB, SVHC, GIS and the Polish OEL list. Principle: no data = no claim (we do NOT declare "no restrictions" without a basis).

✅ SDS (Safety Data Sheet) available fulfilled

How to comply: Requirement: current SDS compliant with Reg. 1907/2006 (REACH) Annex II, 16-section format.

Legal basis: Regulation (EC) 1907/2006 (REACH) Art. 31 + Annex II
📎 Source / form ↗
▣ Compliant CLP label (pictograms + signal word + H/P) required

How to comply: The label must include: GHS pictograms, the signal word (Danger/Warning), hazard (H) and precautionary (P) statements, and manufacturer details. Required since 2010 (substances) and 2015 (mixtures). For this substance a HARMONISED CLASSIFICATION applies (CLP Annex VI) — see below; it takes precedence over self-classification.

Legal basis: Regulation (EC) 1272/2008 (CLP) Art. 17-33 + Annex VI (harmonised classification)

Harmonised classification (CLP Annex VI): Acute Tox. 4 * — H302 · Index 603-027-00-1
📎 Source / form ↗
❓ ADR transport (international agreement) to be verified

How to comply: No ADR data in the MOL-GOD dataset for this CAS number. Do NOT assume there are no restrictions — before shipping, verify the transport classification in ADR 2025 (Table A) and in section 14 of the safety data sheet (SDS).

Legal basis: European Agreement ADR 2025 + Act of 19 August 2011 on the transport of dangerous goods
📎 Source / form ↗
🔵 REACH registration (>1 t/year EU import) conditional

How to comply: Importers/manufacturers ≥1 tonne/year must register the substance with ECHA (technical dossier + Chemical Safety Report if ≥10 t). Check the ECHA Annex VI / registered substances list.

Legal basis: Regulation (EC) 1907/2006 (REACH) Art. 5-22
📎 Source / form ↗
❓ SVHC notification (Substances of Very High Concern) to be verified

How to comply: SVHC status not verified against the available dataset — check the current ECHA candidate list; do not assume the absence of an entry.

Legal basis: REACH Art. 7(2) + 33 — SVHC notification + communication
📎 Source / form ↗
❓ REACH Annex XIV (authorisation list) to be verified

How to comply: Not verified against the ECHA Authorisation List — check REACH Annex XIV.

Legal basis: Regulation (EC) 1907/2006 (REACH) Annex XIV — authorisation
📎 Source / form ↗
⚪ REACH Annex XVII (use/marketing restrictions) not applicable

How to comply: Zweryfikowano wobec klasyfikacji zharmonizowanej (CLP Załącznik VI): substancja NIE ma klasyfikacji CMR kat. 1A/1B, więc NIE podlega ogólnemu zakazowi sprzedaży ogółowi społeczeństwa z poz. 28–30 Załącznika XVII. UWAGA: szczegółowe (nie-CMR) pozycje Załącznika XVII nie są objęte zbiorem MOL-GOD (zbiór niepełny) — przy wątpliwości sprawdź skonsolidowany Załącznik XVII na stronach ECHA.

Legal basis: Regulation (EC) 1907/2006 (REACH) Annex XVII — restrictions on manufacture/placing on the market/use
📎 Source / form ↗

📚 Scientific references (Chicago Author-Date)

European Parliament and Council. 2008. Regulation (EC) No 1272/2008 on classification, labelling and packaging of substances and mixtures (CLP). Official Journal of the European Union L 353/1. CLP Regulation 1272/2008. [link ↗] — Classification, labelling and packaging of substances + mixtures (GHS implementation in the EU)
European Parliament and Council. 2006. Regulation (EC) No 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). Official Journal of the European Union L 396/1. REACH Regulation 1907/2006. [link ↗] — REACH — registration, evaluation and authorisation of chemicals; SVHC; SDS Annex II
Ministerstwo Rodziny i Polityki Społecznej Rzeczypospolitej Polskiej. 2024. Rozporządzenie Ministra Rodziny i Polityki Społecznej z dnia 4 września 2024 r. w sprawie najwyższych dopuszczalnych stężeń i natężeń czynników szkodliwych dla zdrowia w środowisku pracy. Dziennik Ustaw RP 2024 poz. 1017. [link ↗] — NDS and NDSCh for ~600 chemical substances — current Polish occupational exposure limits
United Nations Economic Commission for Europe (UNECE). 2025. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR), 2025 Edition. United Nations, Geneva. ADR 2025. [link ↗] — International agreement on the road transport of dangerous goods — UN numbers, classes, packaging

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 107-21-1 · PubChem ↗

Parlament Europejski i Rada UE. 2008. "Rozporządzenie (WE) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗] GHS, Regulations
United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗] GHS
Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8. Pierwsza pomoc, Toksykologia
National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗] Pierwsza pomoc, PPE, Toksykologia
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗] PPE
UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗] Utylizacja, Regulacje
National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗] Magazynowanie
Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗] Magazynowanie
Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗] Utylizacja
International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗] Toksykologia

Tabs with their own references (Emergency, PPE, Storage, Waste) contain additional bibliographic entries within their respective sections.

📈 Analytical statistics (t-test · RSD · Grubbs · Q-Dixon) ICH Q2

Paste a series of replicate measurements (CSV, or one number per line). The calculator computes the mean, standard deviation and 95% CI, and detects outliers (Grubbs + Dixon Q).

Measurement results:

Separator: comma, space, tab, new line. Minimum 3 measurements.

📐 Statistical formulas

x̄ = Σxᵢ / n — arithmetic mean
s² = Σ(xᵢ - x̄)² / (n-1) — sample variance
s = √s² — standard deviation
RSD% = (s / x̄) × 100% — relative standard deviation
CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
G = |xᵢ - x̄| / s — Grubbs' test
Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

Source: ICH Q2(R2) Validation of Analytical Procedures · ICH PDF ↗

🧪 Buffer Recipe Calculator UNIQUE

Choose a buffer from the list of 20 popular systems → enter the target pH → get an exact recipe with the masses to weigh out.

Step 1: Choose a buffer system

📜 Recipe history (last 10)

Pharmacological Status

Prekliniczny

Phase I

Phase II

Phase III

Approved

Preclinical — no human study data.

ChEMBL CHEMBL457299 ↗

Extended Bibliography (5)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Chivin, Sun. "Synthesis of spirosilicates directly from silica and ethylene glycol/ethylene glycol derivatives.". https://doi.org/10.58837/chula.the.2000.1699. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "All-Atom Molecular Dynamics Simulations of Poly(ethylene glycol) Networks in Water for Evaluating Negative Energetic Elasticity.". https://doi.org/10.1021/acs.macromol.3c01121.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) Copolymer 2D Single Network at the AirWater Interface.". https://doi.org/10.1021/acs.langmuir.0c01398.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) Copolymer 2D Single Network at the AirWater Interface.". https://doi.org/10.1021/acs.langmuir.0c01398.s002. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Identification of Poly(ethylene glycol) and Poly(ethylene glycol)-Based Detergents Using Peptide Search Engines.". https://doi.org/10.1021/acs.analchem.8b00365.s007. link [accessed: 2026-09-23] CC0 (metadata)

📅 Project Planner — Lab Experiment Manager NEW

Plan your entire laboratory project: add experiments with reagents, replicates, and duration. You'll get a Gantt chart, a shopping list (with links to the store!), a budget with a 10% margin, and a GHS risk matrix.

🧪 Solubility and solvent compatibility MolGod_SOLUB_1

Molecule

Ethylene Glycol

Formula

C2H6O2

logP (XLogP3)

-1.40

Mass (g/mol)

62.07

Polarity

Hydrophilic (polar)

⚠️ HSP estimate (literature / group contribution). Indicative data — does not replace experimental studies.

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 9..

Solvent	Compat.	Ra	GC-MS	HPLC	Applications	References
Water (H₂O)	miscible	17.3	✗ Nie	A (aqueous) (RP)	buffercell cultureanalyticalextraction (hydrophilic)	Hansen (2007) ↗NIST ↗CRC ↗IAPWS ↗Reichardt 2011 ↗GESTIS ↗
Ethanol (EtOH)	+ Good	7.4	✗ Nie	A/B modifier (RP/NP)	extractionspectroscopy (UV-Vis)synthesisHPLC modifier	Hansen (2007) ↗NIST ↗CRC ↗Snyder & Kirkland ↗Smallwood ↗GESTIS ↗
Methanol (MeOH)	+ Good	5.5	✗ Nie	A/B (RP) (RP)	HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm	Snyder & Kirkland ↗NIST ↗CRC ↗Snyder & Kirkland ↗GESTIS ↗
Acetone	− Poor	19.2	✗ Nie	B modifier (NP)	GC headspacecrystallisationdegreasingsynthesis	Reichardt (2011) ↗NIST ↗CRC ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
Acetonitrile (ACN)	− Poor	21.4	✗ Nie	B (RP) (RP)	HPLC eluent (gold standard)LC-MS (low UV cut-off, 190 nm)peptide analysis	Aguilar, M.I. ↗NIST ↗CRC ↗Snyder & Kirkland ↗Reichardt 2011 ↗GESTIS ↗
DMSO	− Poor	16.9	✗ Nie	N/A (N/A)	NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis	Wypych, G. ↗NIST ↗Wypych 2019 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
THF	− Poor	18.8	✗ Nie	B (NP) (NP)	GPC/SEC (polymer analysis)Grignard synthesisorganometallics	Armarego (2009) ↗NIST ↗Armarego 2009 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
DCM (CH₂Cl₂)	− Poor	20.6	✓ Tak	B (NP) (NP)	extractionNP-HPLCGC-MScrystallisation (anti-solvent)	NIST WebBook ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Chloroform (CHCl₃)	− Poor	21.8	✓ Tak	N/A (toxic) (N/A)	NMR (CDCl3)lipid extraction (Folch method)NP-TLC	IARC Monographs ↗NIST ↗IARC 73 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Hexane	− Poor	28.5	✓ Tak	A (NP) (NP)	NP-HPLCoil extraction (lipids)GC-MSTLC (NP)	Dass, C. (2011) ↗NIST ↗ATSDR n-Hexane ↗Hansen 2007 ↗Snyder & Kirkland ↗GESTIS ↗
Toluene	− Poor	25.9	✓ Tak	B (NP) (NP)	NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)	GESTIS DGUV ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗

Sources: PubChem (NIH) · Hansen Solubility Database

📚 Scientific references for solvents (Chicago Author-Date) — click to expand

11 solvents · 54 full citations (NIST/CRC/IARC/Hansen/Reichardt/Smallwood/Wypych/Armarego/Snyder/GESTIS) — below.

Water (H₂O)

NIST — NIST Chemistry WebBook — Water (CAS 7732-18-5)
CRC — CRC Handbook of Chemistry and Physics, 104th ed., Sec. 8 (Properties of Water)
IAPWS — IAPWS Release on Static Dielectric Constant of Water
Reichardt 2011 — Solvents and Solvent Effects in Organic Chemistry
GESTIS — GESTIS Substance Database — Water

Ethanol (EtOH)

NIST — NIST Chemistry WebBook — Ethanol (CAS 64-17-5)
CRC — CRC Handbook — Ethanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — Ethanol eluotropic
Smallwood — Handbook of Organic Solvent Properties — Ethanol
GESTIS — GESTIS Substance Database — Ethanol

Methanol (MeOH)

NIST — NIST Chemistry WebBook — Methanol (CAS 67-56-1)
CRC — CRC Handbook — Methanol physical constants
Snyder & Kirkland — Modern Liquid Chromatography — MeOH eluotropic, eo=0.95
GESTIS — GESTIS Substance Database — Methanol

Acetone

NIST — NIST Chemistry WebBook — Acetone (CAS 67-64-1)
CRC — CRC Handbook — Acetone physical & thermodynamic constants
Hansen 2007 — Hansen Solubility Parameters — Acetone (dD=15.5, dP=10.4, dH=7.0)
Smallwood — Handbook of Organic Solvent Properties — Acetone
GESTIS — GESTIS Substance Database — Acetone

Acetonitrile (ACN)

NIST — NIST Chemistry WebBook — Acetonitrile (CAS 75-05-8)
CRC — CRC Handbook — Acetonitrile constants
Snyder & Kirkland — Modern Liquid Chromatography — ACN gold-standard HPLC eluent
Reichardt 2011 — Solvents and Solvent Effects — ACN dipolar aprotic
GESTIS — GESTIS Substance Database — Acetonitrile

DMSO

NIST — NIST Chemistry WebBook — DMSO (CAS 67-68-5)
Wypych 2019 — Handbook of Solvents Vol. 1 — DMSO comprehensive properties
Hansen 2007 — HSP — DMSO (dD=18.4, dP=16.4, dH=10.2)
Reichardt 2011 — Solvents and Solvent Effects — DMSO E_T(30)=45.1, dipolar aprotic
GESTIS — GESTIS Substance Database — DMSO

THF

NIST — NIST Chemistry WebBook — THF (CAS 109-99-9)
Armarego 2009 — Purification of Laboratory Chemicals — THF drying & peroxide test
Hansen 2007 — Hansen Solubility Parameters — THF (dD=16.8, dP=5.7, dH=8.0)
Smallwood — Handbook of Organic Solvent Properties — THF
GESTIS — GESTIS Substance Database — Tetrahydrofuran

DCM (CH₂Cl₂)

NIST — NIST Chemistry WebBook — Dichloromethane (CAS 75-09-2)
IARC 71 — IARC Monograph 71 — DCM (Group 2A carcinogen)
Hansen 2007 — Hansen Solubility Parameters — DCM (dD=18.2, dP=6.3, dH=6.1)
Reichardt 2011 — Solvents and Solvent Effects — DCM polarity index
GESTIS — GESTIS Substance Database — Dichloromethane

Chloroform (CHCl₃)

NIST — NIST Chemistry WebBook — Chloroform (CAS 67-66-3)
IARC 73 — IARC Monograph 73 — Chloroform (Group 2B carcinogen)
Hansen 2007 — Hansen Solubility Parameters — CHCl3 (dD=17.8, dP=3.1, dH=5.7)
Reichardt 2011 — Solvents and Solvent Effects — CHCl3 H-bond donor strength
GESTIS — GESTIS Substance Database — Chloroform

n-Hexane

NIST — NIST Chemistry WebBook — n-Hexane (CAS 110-54-3)
ATSDR n-Hexane — ATSDR Toxicological Profile for n-Hexane — neuropatia obwodowa (n-Heksan NIE jest kancerogenem IARC)
Hansen 2007 — Hansen Solubility Parameters — n-Hexane (dD=14.9, dP=0, dH=0)
Snyder & Kirkland — Modern Liquid Chromatography — n-Hexane NP standard, eo=0.00
GESTIS — GESTIS Substance Database — n-Hexane

Toluene

NIST — NIST Chemistry WebBook — Toluene (CAS 108-88-3)
IARC 71 — IARC Monograph 71 — Toluene
Hansen 2007 — Hansen Solubility Parameters — Toluene (dD=18.0, dP=1.4, dH=2.0)
Smallwood — Handbook of Organic Solvent Properties — Toluene
GESTIS — GESTIS Substance Database — Toluene

Solubility theory (applied in compatibility prediction):

Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — HSP triplet (dD, dP, dH) + Ra formula.
Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Complete tabular set of 250+ solvents (ε, μ, donicity, acceptor numbers).
PubChem Compound Database — CAS 107-21-1 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

Full bibliography in the REFERENCES accordion (at the bottom of the page) — Chicago Manual of Style 17th ed., Author-Date.

🌐 Hansen Solubility Sphere (3D)

The closer to the molecule (red sphere), the better the solvent. · Advanced: labels + grid + axes + pulsation.

Your molecule

Dobra (Ra < R₀)

Graniczna (Ra < 1,5×R₀)

Poor (Ra ≥ 1.5×R₀)

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 9..

📚 Data sources HSP + Ra

et al.. (2021). "Reference Correlation for the Viscosity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 465 K and up to 100 MPa.". https://doi.org/10.1007/s10765-021-02867-0 [DOI ↗]
et al.. (2021). "Reference Correlation for the Thermal Conductivity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 475 K and Pressures up to 100 MPa.". https://doi.org/10.1007/s10765-021-02904-y [DOI ↗]
Olanrewaju Sam Olayeriju, Olusola Olalekan Elekofehinti, Mary Tolulope Olaleye et al.. (2021). "Activation of NRF2/HO-1 Pathway by aqueous methanolic leaf extract of Triclisia gilletii and selected identified compounds in Triclisia gilletii, modulates crystal binding genes (CD44/OPN) in Ethane-1,2-diol-induced nephrolithic rats". Phytomedicine Plus. https://doi.org/10.1016/j.phyplu.2021.100066 [DOI ↗]
Clark Candyce R., Hosten Eric C., Betz Richard. (2021). "The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5". Zeitschrift für Kristallographie - New Crystal Structures. https://doi.org/10.1515/ncrs-2020-0529 [DOI ↗]
Lorenzo Gontrani, Pietro Tagliatesta, Antonio Agresti et al.. (2020). "New Insights into the Structure of Glycols and Derivatives: A Comparative X-Ray Diffraction, Raman and Molecular Dynamics Study of Ethane-1,2-Diol, 2-Methoxyethan-1-ol and 1,2-Dimethoxy Ethane". Crystals. https://doi.org/10.3390/cryst10111011 [DOI ↗]
O. S. Olayeriju, O. O. Crown, O. O. Elekofehinti et al.. (2020). "Effect of moonseed vine (Triclisia gilletii Staner) on ethane-1,2-diol-induced urolithiasis and its renotoxicity in Wistar albino rats". African Journal of Urology. https://doi.org/10.1186/s12301-020-0018-x [DOI ↗]
Kai-Long Zhong. (2018). "catena-Poly[[[bis(glycolato-κ2O,O′)copper(II)]-μ-4,4′-bipyridine-κ2N:N′] ethane-1,2-diol monosolvate]". IUCrData. https://doi.org/10.1107/S2414314618016322 [DOI ↗]
Jochen Winkelmann. (2017). "Diffusion coefficient of ethane-1,2-diol into water and ethane-1,2-diol solution". Diffusion in Gases, Liquids and Electrolytes. https://doi.org/10.1007/978-3-540-73735-3_1133 [DOI ↗]
Hansen Solubility Database — hansen-solubility.com
PubChem — pubchem.ncbi.nlm.nih.gov

Method: Group Contribution (GC) — rapid δD/δP/δH estimation from logP when experimental data are unavailable. Accuracy ±2 MPa^½. For higher precision → HSPiP software.

Hansen Solubility Parameters:

δD: 17 MPa^0.5

δP: 11 MPa^0.5

δH: 26 MPa^0.5

⚗️ Check reaction compatibility MolGod_RXNCOMP_1

Health: 2/4

Flammability: 0/4

Reactivity: 0/4

Per NFPA 704 / calculated from H-codes

Check whether Ethylene Glycol is compatible with another reagent

📦 Storage compatibility matrix

	Acids	Bases	Oxidizers	Flammable	Toxic	Gazy
Acids	✓	✗	✗	✗	⚠	✗
Bases	✗	✓	⚠	⚠	⚠	⚠
Oxidizers	✗	⚠	✓	✗	⚠	✗
Flammable	✗	⚠	✗	✓	⚠	✗
Toxic	⚠	⚠	⚠	⚠	✓	⚠
Gazy	✗	⚠	✗	✗	⚠	✓

✓ Can be stored together · ⚠ Caution · ✗ Do NOT store together · OSHA Chemical Segregation ↗

Compatibility data from: Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 Laboratory calculators (8) MolGod_LABCALC_1

ppm → mg/L

Temperature C↔F↔K

Verified formulas: IUPAC Gold Book ↗, DOI ↗

📊 Spectroscopic Databases MolGod_SPECDB_3

¹H NMR NMRShiftDB ↗ IR NIST WebBook ↗ MS MoNA ↗ UV-Vis SDBS Japan ↗ MS (NIST) NIST MS ↗ NMR (SDBS) SDBS NMR ↗ JP Monograph Farmacopea JP ↗ WHO INN WHO Model ↗ DOAJ Open Access ↗

📋 Laboratory protocol generator MolGod_PROTOCOL_1

Target concentration

Volume (mL)

Initials

Protocol generated based on: GHS SDS, Aldrich Lab Guide ↗

🏷️ Label generator (QR) MolGod_LABEL_1

Concentration

Preparation Date

Initials

Deskryptory Lipinskiego (struktura)

Drug-likeness radar chart (Lipinski Ro5 / Veber). Green zone = compliance with criteria.

Predictive data — properties calculated in silico (SMILES/RDKit). These do not replace clinical studies. Do not use for drug evaluation without experimental verification.

✓ Lipinski Ro5✓ Veber✓ Egan✗ Ghose (MW=62, LogP=-1.4)✗ REOS (MW=62)✓ Lead-like Ro3

Property	Value	Rating
Absorption (GI)	high	✓
BBB permeability	no
Bioavailability (Daina 2017)	55%
CYP450 profile	CYP1A2 non-inhibitorCYP2C9 non-inhibitorCYP2C19 non-inhibitorCYP2D6 non-inhibitorCYP3A4 non-inhibitor
PAINS alerts	0	✓
Brenk alerts	0	✓
pKa (pH 7.4)	7 (heuristic)
hERG (cardiotox.)	✓ no
P-gp substrate	—
Ames mutagenicity	✓ no
DILI (hepatotox.)	—
LogS (aq. solub.)	—

Sources (ADMET methodology)

Lipinski, Christopher A., Franco Lombardo, Beryl W. Dominy, and Paul J. Feeney. 1997. "Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings." Advanced Drug Delivery Reviews 23 (1-3): 3-25.
Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, et al. 2002. "Molecular properties that influence the oral bioavailability of drug candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
Daina, Antoine, Olivier Michielin, and Vincent Zoete. 2017. "SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness." Scientific Reports 7: 42717.
Egan, William J., and Gregory Lauri. 2002. "Prediction of intestinal permeability." Advanced Drug Delivery Reviews 54 (3): 273-289.
Baell, Jonathan B., and Georgina A. Holloway. 2010. "New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries." Journal of Medicinal Chemistry 53 (7): 2719-2740.
Brenk, Ruth, Alessandro Schipani, Daniel James, et al. 2008. "Lessons learnt from assembling screening libraries for drug discovery for neglected diseases." ChemMedChem 3 (3): 435-444.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions." Journal of Cheminformatics 1: 8.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Ghose, Arup K., Vellarkad N. Viswanadhan, and John J. Wendoloski. 1999. "A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery." Journal of Combinatorial Chemistry 1 (1): 55-68.
Tice, Raymond R., Christopher P. Austin, Robert J. Kavlock, and John R. Bucher. 2013. "Improving the Human Hazard Characterization of Chemicals: A Tox21 Update." Environmental Health Perspectives 121 (7): 756-765.
Leeson, Paul D., and Brian Springthorpe. 2007. "The Influence of Drug-Like Concepts on Decision-Making in Medicinal Chemistry." Nature Reviews Drug Discovery 6 (11): 881-890.
Hann, Michael M. 2011. "Molecular Obesity, Potency and Other Addictions in Drug Discovery." MedChemComm 2 (5): 349-355.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Walters, W. Patrick, and Mark A. Murcko. 2002. "Prediction of 'Drug-Likeness.'". Advanced Drug Delivery Reviews 54 (3): 255–271. https://doi.org/10.1016/S0169-409X(02)00003-0.
Congreve, Miles, Robin Carr, Christopher Murray, and Harren Jhoti. 2003. "A 'Rule of Three' for Fragment-Based Lead Discovery?" Drug Discovery Today 8 (19): 876–877. https://doi.org/10.1016/S1359-6446(03)02831-9.
Brenk, Ruth, Alessandro Schipani, Daniel James, Agata Krasowski, Iain Hugh Gilbert, Julie Frearson, and Paul Graham Wyatt. 2008. "Lessons Learnt from Assembling Screening Libraries for Drug Discovery for Neglected Diseases." ChemMedChem 3 (3): 435-444.
Schomburg, Karen T., Sascha Bietz, Hans Briem, Andrea M. Henzler, Stefan Urbaczek, and Matthias Rarey. 2014. "Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening." Journal of Chemical Information and Modeling 54 (6): 1676-1686.
Bemis, Guy W., and Mark A. Murcko. 1996. "The Properties of Known Drugs. 1. Molecular Frameworks." Journal of Medicinal Chemistry 39 (15): 2887-2893.
Schomburg, Karen T., and Matthias Rarey. 2014. "What Is the Potential of Structure-Based Target Prediction Methods?" Future Medicinal Chemistry 6 (17): 1987-1989.
et al.. (2021). "Reference Correlation for the Viscosity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 465 K and up to 100 MPa.". https://doi.org/10.1007/s10765-021-02867-0
et al.. (2021). "Reference Correlation for the Thermal Conductivity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 475 K and Pressures up to 100 MPa.". https://doi.org/10.1007/s10765-021-02904-y
Olanrewaju Sam Olayeriju, Olusola Olalekan Elekofehinti, Mary Tolulope Olaleye et al.. (2021). "Activation of NRF2/HO-1 Pathway by aqueous methanolic leaf extract of Triclisia gilletii and selected identified compounds in Triclisia gilletii, modulates crystal binding genes (CD44/OPN) in Ethane-1,2-diol-induced nephrolithic rats". Phytomedicine Plus. https://doi.org/10.1016/j.phyplu.2021.100066
Clark Candyce R., Hosten Eric C., Betz Richard. (2021). "The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5". Zeitschrift für Kristallographie - New Crystal Structures. https://doi.org/10.1515/ncrs-2020-0529
et al.. (2020). "New Insights Into the Structure of Hydroxylated and Alkylated Glycols: A Comparative X-ray Diffraction, Raman and Molecular Dynamics Study of Ethane-1,2-Diol, 2-Methoxyethan-1-ol and 1,2-Dimethoxy Ethane". https://doi.org/10.20944/preprints202010.0071.v1
Lorenzo Gontrani, Pietro Tagliatesta, Antonio Agresti et al.. (2020). "New Insights into the Structure of Glycols and Derivatives: A Comparative X-Ray Diffraction, Raman and Molecular Dynamics Study of Ethane-1,2-Diol, 2-Methoxyethan-1-ol and 1,2-Dimethoxy Ethane". Crystals. https://doi.org/10.3390/cryst10111011
O. S. Olayeriju, O. O. Crown, O. O. Elekofehinti et al.. (2020). "Effect of moonseed vine (Triclisia gilletii Staner) on ethane-1,2-diol-induced urolithiasis and its renotoxicity in Wistar albino rats". African Journal of Urology. https://doi.org/10.1186/s12301-020-0018-x
Kai-Long Zhong. (2018). "catena-Poly[[[bis(glycolato-κ2O,O′)copper(II)]-μ-4,4′-bipyridine-κ2N:N′] ethane-1,2-diol monosolvate]". IUCrData. https://doi.org/10.1107/S2414314618016322
Jochen Winkelmann. (2017). "Diffusion coefficient of ethane-1,2-diol into water and ethane-1,2-diol solution". Diffusion in Gases, Liquids and Electrolytes. https://doi.org/10.1007/978-3-540-73735-3_1133
Christian Wohlfarth. (2017). "Viscosity of the binary liquid mixture of ethane-1,2-diol and propane-1,2-diol". Viscosity of Pure Organic Liquids and Binary Liquid Mixtures. https://doi.org/10.1007/978-3-662-49218-5_768
Christian Wohlfarth. (2017). "Viscosity of the binary liquid mixture of ethane-1,2-diol and ethane-1,2-diamine". Viscosity of Pure Organic Liquids and Binary Liquid Mixtures. https://doi.org/10.1007/978-3-662-49218-5_764
Christian Wohlfarth. (2017). "Viscosity of the binary liquid mixture of ethane-1,2-diol and propane-1,3-diol". Viscosity of Pure Organic Liquids and Binary Liquid Mixtures. https://doi.org/10.1007/978-3-662-49218-5_769
(2013). "Poly[aqua-(μ2-4,4'-bipyridine-κ(2) N:N')(ethane-1,2-diol-κO)(μ2-sulfato-κ(2) O:O')nickel(II)].". https://doi.org/10.1107/s1600536813003772
(2013). "Poly[diaqua-bis-(μ-4,4'-bipyridine-κ(2) N:N')bis-(ethane-1,2-diol-κO)bis(μ-sulfato-κ(2) O:O')dicobalt(II)].". https://doi.org/10.1107/s1600536813006685
(2010). "Bis(2,2'-bipyridyl-κN,N')(sulfato-κO,O')zinc(II) ethane-1,2-diol solvate.". https://doi.org/10.1107/s1600536809055433
et al.. (2000). "Lipase-catalyzed transesterification of 2-hydroxy-2-(pentafluorophenyl)acetonitrile leading to (1R,2R)- and (1S,2S)-bis(pentafluorophenyl)ethane-1,2-diol". https://doi.org/10.1021/jo9918551
Kajal Krishna Rajak, Sujit Mondal, Sankar Prasad Rath. (2000). "Synthesis, structure and properties of mononuclear oxovanadium(V) alkoxides incorporating chelated ethane-1,2-diol and propane-1,3-diol". Polyhedron. https://doi.org/10.1016/s0277-5387(00)00336-3
(1998). "Synthesis of alpha,alpha-, alpha,Beta-, and Beta,Beta-(dimaltoside)s of ethane-1,2-diol, propane-1,3-diol, and butane-1,4-diol: a proposal for an initial adhesion mode.". https://doi.org/10.1016/s0008-6215(98)00191-8
(1989). "Simple enzymatic screening assay for ethylene glycol (ethane-1,2-diol) in serum.". https://doi.org/10.1016/0009-8981(89)90153-8
Anonymous. "All-Atom Molecular Dynamics Simulations of Poly(ethylene glycol) Networks in Water for Evaluating Negative Energetic Elasticity.". https://doi.org/10.1021/acs.macromol.3c01121.s001. [DOI ↗]
Bolton, Evan E., Yanli Wang, Paul A. Thiessen, and Stephen H. Bryant. 2008. "PubChem: Integrated Platform of Small Molecules and Biological Activities." Annual Reports in Computational Chemistry 4: 217-241. [DOI ↗]
Kim, Sunghwan, Jie Chen, Tiejun Cheng, et al. 2023. "PubChem 2023 update." Nucleic Acids Research 51 (D1): D1373-D1380. [DOI ↗]
Kim, Sunghwan, Tiejun Cheng, Jianyong He, Chen Cheng, et al. 2021. "PubChem Protein, Pathway, Reaction, and Disease Specifications." Journal of Cheminformatics 13: 16. [DOI ↗]
Hähnke, Volker D., Sunghwan Kim, and Evan E. Bolton. 2018. "PubChem chemical structure standardization." Journal of Cheminformatics 10: 36. [DOI ↗]
Wang, Yanli, Stephen H. Bryant, Tiejun Cheng, Jiyao Wang, et al. 2017. "PubChem BioAssay: 2017 update." Nucleic Acids Research 45 (D1): D955-D963. [DOI ↗]
Cheng, Tiejun, et al. 2014. "Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge." Journal of Chemical Information and Modeling 54 (3): 793-805. [DOI ↗]
Wilkinson, Mark D., et al. 2016. "The FAIR Guiding Principles for scientific data management and stewardship." Scientific Data 3: 160018. [DOI ↗]
Hersey, Anne, et al. 2015. "Chemical databases: curation or integration by user-defined equivalence?" Drug Discovery Today: Technologies 14: 17-24.
Anonymous. "Effect of Poly(ethylene glycol) Configuration on Microbubble Pharmacokinetics.". https://doi.org/10.1021/acsbiomaterials.3c01764.s001. [DOI ↗]
Veber, Daniel F., Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. 2002. "Molecular Properties That Influence the Oral Bioavailability of Drug Candidates." Journal of Medicinal Chemistry 45 (12): 2615-2623.
Felix Kratz, Peter Senter, Henning Steinhagen. 2012. "Drug delivery in oncology." Wiley-VCH. ↗
ECHA. 2024. "REACH Guidance." European Chemicals Agency. ↗
Groom, Colin R., Ian J. Bruno, Matthew P. Lightfoot, and Suzanna C. Ward. 2016. "The Cambridge Structural Database." Acta Crystallographica Section B 72 (2): 171-179. ↗

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📚 Scientific literature overview — CAS 107-21-1MolGod_LITHUB_MAIN

⭐ Key findings (scientific literature) 17 publications

🏆 CAS 107-21-1 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.

#1

Poly Lactic-co-Glycolic Acid (PLGA) as Biodegradable Controlled Drug Delivery Carrier.

Makadia HK; Siegel SJ (2011) · Polymers

Why it matters: Must-cite (canon) · wysoki impact (2770 citations)

SCORE 12.88 Pharmacology MUST-CITE Citations: 2770 DOI ↗
#2

Reference Correlation for the Viscosity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 465 K and up to 100 MPa.

et al. (2021) · International Journal of Thermophysics

Why it matters: Open access

SCORE 8.26 Mechanism Citations: 7 Open Access DOI ↗ PubMed ↗
#3

Reference Correlation for the Thermal Conductivity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 475 K and Pressures up to 100 MPa.

et al. (2021) · International Journal of Thermophysics

Why it matters: Open access

SCORE 7.36 Mechanism Citations: 3 Open Access DOI ↗ PubMed ↗
#4

Activation of NRF2/HO-1 Pathway by aqueous methanolic leaf extract of Triclisia gilletii and selected identified compounds in Triclisia gilletii, modulates crystal binding genes (CD44/OPN) in Ethane-1,2-diol-induced nephrolithic rats

Olanrewaju Sam Olayeriju, Olusola Olalekan Elekofehinti, Mary Tolulope Olaleye et al. (2021) · Phytomedicine Plus

Why it matters: Open access

SCORE 7.15 Mechanism Open Access DOI ↗
#5

The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5

Clark Candyce R., Hosten Eric C., Betz Richard (2021) · Zeitschrift für Kristallographie - New Crystal Structures

Why it matters: Open access

SCORE 7.15 Mechanism Open Access DOI ↗
#6

New Insights Into the Structure of Hydroxylated and Alkylated Glycols: A Comparative X-ray Diffraction, Raman and Molecular Dynamics Study of Ethane-1,2-Diol, 2-Methoxyethan-1-ol and 1,2-Dimethoxy Ethane

et al. (2020)

Why it matters: Open access

SCORE 6.05 Mechanism Open Access DOI ↗
#7

New Insights into the Structure of Glycols and Derivatives: A Comparative X-Ray Diffraction, Raman and Molecular Dynamics Study of Ethane-1,2-Diol, 2-Methoxyethan-1-ol and 1,2-Dimethoxy Ethane

Lorenzo Gontrani, Pietro Tagliatesta, Antonio Agresti et al. (2020) · Crystals

Why it matters: Open access

SCORE 6.05 Mechanism Open Access DOI ↗
#8

Synthesis, structure and properties of mononuclear oxovanadium(V) alkoxides incorporating chelated ethane-1,2-diol and propane-1,3-diol

Kajal Krishna Rajak, Sujit Mondal, Sankar Prasad Rath (2000) · Polyhedron

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 5.84 Mechanism Citations: 25 DOI ↗
#9

Effect of moonseed vine (Triclisia gilletii Staner) on ethane-1,2-diol-induced urolithiasis and its renotoxicity in Wistar albino rats

O. S. Olayeriju, O. O. Crown, O. O. Elekofehinti et al. (2020) · African Journal of Urology

Why it matters: Open access

SCORE 5.25 Pharmacology Open Access DOI ↗
#10

Poly[aqua-(μ2-4,4'-bipyridine-κ(2) N:N')(ethane-1,2-diol-κO)(μ2-sulfato-κ(2) O:O')nickel(II)].

Kai-Long Zhong (2013) · Acta Crystallographica Section E Structure Reports Online

Why it matters: Open access

SCORE 4.85 Mechanism Citations: 1 Open Access DOI ↗ PubMed ↗
#11

catena-Poly[[[bis(glycolato-κ2O,O′)copper(II)]-μ-4,4′-bipyridine-κ2N:N′] ethane-1,2-diol monosolvate]

Kai-Long Zhong (2018) · IUCrData

Why it matters: Open access

SCORE 4.65 Mechanism Open Access DOI ↗
#12

Bis(2,2'-bipyridyl-κN,N')(sulfato-κO,O')zinc(II) ethane-1,2-diol solvate.

Kai-Long Zhong (2010) · Acta Crystallographica Section E Structure Reports Online

Why it matters: Open access

SCORE 4.58 Mechanism Citations: 5 Open Access DOI ↗ PubMed ↗
#13

Simple enzymatic screening assay for ethylene glycol (ethane-1,2-diol) in serum.

Per Hansson; Parvesh Masson (1989) · Clinica Chimica Acta

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 4.57 Analytics Citations: 17 DOI ↗ PubMed ↗
#14

Poly[diaqua-bis-(μ-4,4'-bipyridine-κ(2) N:N')bis-(ethane-1,2-diol-κO)bis(μ-sulfato-κ(2) O:O')dicobalt(II)].

Kai-Long Zhong (2013) · Acta Crystallographica Section E Structure Reports Online

Why it matters: Open access

SCORE 3.95 Mechanism Open Access DOI ↗ PubMed ↗
#15

Synthesis of alpha,alpha-, alpha,Beta-, and Beta,Beta-(dimaltoside)s of ethane-1,2-diol, propane-1,3-diol, and butane-1,4-diol: a proposal for an initial adhesion mode.

Mina Tsuzuki; Tsutomu Tsuchiya (1998) · Carbohydrate Research

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 3.92 Mechanism Citations: 10 DOI ↗ PubMed ↗
#16

Raman structural study of ethylene glycol and 1,3-propylene glycol aqueous solutions.

Liubimovskii SO; Novikov VS; Ustynyuk LY et al. (2023) · Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Why it matters: Must-cite (canon) · recent (2023)

SCORE 3.9 Analytics MUST-CITE DOI ↗
#17

Lipase-catalyzed transesterification of 2-hydroxy-2-(pentafluorophenyl)acetonitrile leading to (1R,2R)- and (1S,2S)-bis(pentafluorophenyl)ethane-1,2-diol

et al. (2000) · The Journal of Organic Chemistry

Why it matters: Selected by multi-criteria score (citations + recency + topic + historical + OA).

SCORE 2.33 Mechanism Citations: 5 DOI ↗ PubMed ↗

Tag	TF	DF	IDF	Score
ethane- -diol	20	13	1.194	33.436
triclisia gilletii	5	2	2.735	19.142
correlation	6	2	2.735	16.408
triple point	4	2	2.735	15.314
-diol -methoxyethan-	4	2	2.735	15.314
-methoxyethan- -dimethoxy	4	2	2.735	15.314
-dimethoxy ethane	4	2	2.735	15.314
atoms	6	4	2.224	13.343
title compound	4	4	2.224	12.453
point pressures	3	2	2.735	11.485

🔬 HPLC — methods & parameters — CAS 107-21-1MolGod_HPLCHUB_MAIN

📈 HPLC gradient — optimizer (LSS) TEMPLATE

Gradient based on PubChem XLogP3 + LSS (Snyder et al. 2010, ch. 9).

Column: C18
Buffer: phosphate
Flow: 1 mL/min
logP: -1.4 (PubChem XLogP3)
Ramp: 5% → 95% B, 10 min
Total analysis time: 23 min

t (min)	%A	%B	flow (mL/min)	Comment
0	95	5	1	start (equilibrium)
2	95	5	1	end of initial hold
12	5	95	1	end of LSS ramp
17	5	95	1	column wash
18	95	5	1	return to init
23	95	5	1	re-equilibration

📚 Scientific references (Chicago Author-Date)

Snyder, Lloyd R., John W. Dolan, and Joseph J. Kirkland. 2010. Introduction to Modern Liquid Chromatography. Wiley. — Chapter 9 — gradient elution, LSS theory (cited as Snyder et al. 2010 in tool description).
Schoenmakers, Peter J. 1986. Optimization of Chromatographic Selectivity: A Guide to Method Development. Elsevier. — Numerical optimization of gradient programs.
Snyder, L. R., and J. W. Dolan. 2007. High-Performance Gradient Elution: The Practical Application of the Linear-Solvent-Strength Model. Wiley. — Foundational LSS reference for the %B_init = 5 + 8·logP heuristic implemented here.
Nikitas, Pavlos, and Adrian Pappa-Louisi. 2009. "Retention models for isocratic and gradient elution in reversed-phase liquid chromatography." Journal of Chromatography A 1216: 1737-1755. [DOI ↗] — Modern review of gradient retention models — basis for non-LSS extensions.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. [DOI ↗]
Dong, Michael W. 2019. HPLC and UHPLC for Practicing Scientists. Wiley. https://doi.org/10.1002/9781119313793. — Modern UHPLC gradient programming, sub-2 µm scaling rules.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. [DOI ↗]
Stoll, Dwight R., and Peter W. Carr. 2017. "Two-Dimensional Liquid Chromatography: A State of the Art Tutorial." Analytical Chemistry 89: 519-531. [DOI ↗] — Reference for orthogonal gradient design (2D-LC second dimension).
Dolan, John W.. 2013. "When to Modify Method Conditions." LCGC North America 31: 192-199.
Meyer, Veronika R. 2010. Practical High-Performance Liquid Chromatography. Wiley. — Chapter 7 — practical gradient design with isokratyczny scouting.

REST: /wp-json/molgod/v1/hplc/gradient/107-21-1

📐 Column dimensions — van Deemter calculator N=12,466

Formula: H = A + B/u + C·u (Van Deemter et al. 1956), N = L/H, ΔP ≈ η·L·u / (K_p·dp²) (Knox 1977). u_opt = √(B/C) (Giddings 1965).

Dimensions	150 × 4.6 mm, 5 µm
Theoretical plates (N)	12,466
N at u_opt	12,500
HETP (current)	12.032 µm
Min. HETP	12 µm
Linear velocity (u)	0.1003 cm/s
u_opt (van Deemter)	0.12 cm/s
Back pressure (ΔP)	42.1 bar
Analysis time (dead volume)	2.49 min

📚 Scientific references (Chicago Author-Date)

Van Deemter, J. J., F. J. Zuiderweg, and A. Klinkenberg. 1956. "Longitudinal diffusion and resistance to mass transfer as causes of nonideality in chromatography." Chemical Engineering Science 5: 271-289. https://doi.org/10.1016/0009-2509(56)80003-1 — Original van Deemter equation paper — basis of H = A + B/u + C·u in this calculator.
Giddings, J. Calvin. 1965. "Dynamics of Chromatography, Part I: Principles and Theory.". Marcel Dekker. — Theoretical underpinning of HETP minimum and u_opt = sqrt(B/C).
Poppe, Hans. 1997. "Some reflections on speed and efficiency of modern chromatographic methods." Journal of Chromatography A 778: 3-21. https://doi.org/10.1016/S0021-9673(97)00376-2 — Speed-efficiency Pareto plot — context for sub-2 µm UHPLC scaling.
Wu, Naijun, and Anton M. Clausen. 2007. "Fundamental and practical aspects of ultrahigh pressure liquid chromatography for fast separations." Journal of Separation Science 30: 1167-1182. https://doi.org/10.1002/jssc.200700026 — UHPLC pressure scaling — extends Darcy ΔP formula to sub-2 µm particles.
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094 — Modern reinterpretation of A, B, C terms (eddy diffusion vs. b-term).
Knox, John H.. 1977. "Practical aspects of LC theory." Journal of Chromatographic Science 15: 352-364. https://doi.org/10.1093/chromsci/15.9.352 — Reduced plate height equation h = a·v^(1/3) + b/v + c·v.
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793 — Practical N targets vs particle size table (UHPLC method scaling).
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.). — Column dimensioning rules of thumb (L, dp, dc) for given α and N.
Engelhardt, Heinz. 2014. "100 Years of Chromatography.". Wiley-VCH (2nd ed.).
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/column/107-21-1

🧪 Mobile phase — compatibility matrix MISCIBLE

Component	Name	UV cutoff (nm)	P'	Detectors
Solv.	Acetonitrile (MeCN)	190	5.8	UV, MS, ELSD, RID, FLD
Solv.	Water	190	10.2	UV, MS, ELSD, RID, FLD
Buffer	Phosphate (KH2PO4 / K2HPO4)	195	pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5	MS ✗

Detector: UV — compatible with both solvents.

📚 Scientific references (Chicago Author-Date)

Sadek, Paul C.. 2002. "The HPLC Solvent Guide.". Wiley-Interscience (2nd ed.).
Snyder, L. R.. 1978. "Classification of the solvent properties of common liquids." Journal of Chromatographic Science 16: 223-234. https://doi.org/10.1093/chromsci/16.6.223
Reichardt, Christian, and Thomas Welton. 2010. "Solvents and Solvent Effects in Organic Chemistry.". Wiley-VCH (4th ed.).
Vailaya, Anant, and Csaba Horváth. 1998. "Retention thermodynamics in hydrophobic interaction chromatography." Industrial & Engineering Chemistry Research 37: 4040-4055. https://doi.org/10.1021/ie980212h
Krstulović, Andrea M., and Phyllis R. Brown. 1981. "Reversed-phase High-Performance Liquid Chromatography.". Wiley.
Snyder, L. R., J. J. Kirkland, and J. L. Glajch. 1997. "Practical HPLC Method Development.". Wiley (2nd ed.).
Carr, Peter W.. 2009. "The new physical chemistry of HPLC." Journal of Chromatography A 1216: 1764-1772. https://doi.org/10.1016/j.chroma.2008.11.094
Boysen, Reinhard I., and Milton T. W. Hearn. 2009. "Multi-modal HPLC of proteins." Journal of Chromatographic Science 47: 645-654. https://doi.org/10.1093/chromsci/47.8.645
Dong, Michael W.. 2019. "HPLC and UHPLC for Practicing Scientists.". Wiley (2nd ed.). https://doi.org/10.1002/9781119313793
Meyer, Veronika R.. 2010. "Practical High-Performance Liquid Chromatography.". Wiley (5th ed.).

REST: /wp-json/molgod/v1/hplc/mobile-phase?solvent_a=...&solvent_b=...

Complete HPLC Method Guide Peer-Reviewed

Molecule-specific scenarios, troubleshooting, and literature references

Molecular Predictor

The predicted parameters for this molecule (CAS 107-21-1) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

-2.3 min

Range: 0.5 – -2.99

confidence: medium

Model: Snyder-Dolan LSS na kolumnie C18 150×4.6 mm, gradient 5→95% B w 15 min

UV λ_max

210 nm

confidence: medium

No strong chromophore detected → 210 nm uniwersalne

Concentration

0.5 mg/mL

= 8.055 mM

confidence: high

Safe linear range detektora UV (nie przekroczy 1.5 AU)

Buffer pH

Range: 1.5 – 2.5

confidence: medium

Acid (pKa=0) → mobile phase pH 2 keeps the neutral form (better peak shape)

Injection Volume

20 μL

confidence: medium

Smaller volume for larger molecules (avoiding peak broadening)

⚠️ Predykcje oparte na modelach chemometrycznych — require validation against an actual measurement. Confidence: low/medium/high depending on the available descriptors.

1. Mobile Phase Selection Solvents, grades, shopping list

Real Chemist Problem

First gradient — what to do step by step

You click Method Editor and see 10 empty time/%B rows. Where to start? How many points to enter?

How We Solve This

Exact Solvent List

Name + CAS + Grade + Role in method

Grade Explanations

HPLC vs LC-MS vs Far UV — when to use which

Consumption Calculator

Number of Samples:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Shopping List

One-click add to cart

Interactive Calculator

Number of Samples:

Flow Rate (mL/min):

Runtime (min):

Solvent	Per Sample	Total Needed	Buy (bottles)	Cost
TOTAL COST:	0 PLN

Deep Education

Understanding Mobile Phase Chemistry

Why Acetonitrile vs Methanol?

Property	Acetonitrile (ACN)	Methanol (MeOH)
Viscosity (20°C)	0.37 cP	0.59 cP (+59%)
Back Pressure	~150 bar	~210 bar (+40%)
UV Cutoff	190 nm	205 nm
Elution Strength	Stronger	Weaker
Price (typical)	115 PLN/L	70 PLN/L (-39%)

Van Deemter Equation Impact

H = A + B/u + Cu

Higher viscosity (MeOH) → lower optimal flow rate → longer runtime.

Buffer Selection: Why NH₄HCO₃?

Volatile: MS-compatible (evaporates without residue)
pH range: 6.5–8.5 (ideal for most organic acids)
Shelf life: 4 weeks @ 4°C (make fresh weekly)
Concentration: 10 mM optimal (higher = ion suppression in MS)

Common Mistake: Using old buffer (>1 week room temp) = pH drift + microbial growth → ghost peaks.

Cost Savings Calculator

How much you save by using naszej metody zamiast alternatyw? Kwartalne koszty labu HPLC.

Samples per quarter

Chemist hourly rate (PLN)

Column price (PLN)

1. Solwenty — ACN vs MeOH

—

	Nasza (ACN)	Alternatywa (MeOH)
Cena/L	115 PLN	70 PLN
Runtime/sample	23 min	32 min (+40%)
Back pressure	150 bar	210 bar
Solwent/sample	~130 mL	~180 mL
Koszt/sample	~5 PLN	~4.5 PLN
Czas/sample	23 min	32 min
Czas pracy chemika	—	—
Total/quarter	—	—

2. Kolumna — z guard vs bez

—

	Nasza (z guard)	Bez guard
Guard column	200 PLN / 100 inj	—
Main column lifetime	2000 inj	500 inj
Columns / quarter	—	—
Guards / quarter	—	—
Downtime wymiany (h)	—	—
Total/quarter	—	—

3. Method development — SOP vs scratch

—

	Nasza (SOP template)	Custom dev
Initial setup	1 h (use template)	40 h (screening of phases, columns, gradients)
Walidacja (ICH Q2)	8 h	24 h
Dokumentacja	2 h (edit template)	16 h
Ryzyko OOS w Q1	~2%	~15%
Total (jednorazowo)	—	—

4. Fast gradient (high-throughput) — ROI

—

	Fast (5 min)	Standard (23 min)
Runtime/sample	5 min	23 min
Samples/8h shift	—	—
Shifts potrzebnych	—	—
Koszt pracy	—	—
Savings	—	—

Total annual savings: —

Frequently Asked Questions

Dla ethane-1,2-diol (logP=) — ACN czy MeOH? +

Dla logP= rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=62.07, CAS 107-21-1) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

How much buffer to add to 1 L of water for 10 mM NH₄HCO₃? +

0.79 g NH₄HCO₃ (MW 79.06). Dissolve in 900 mL, make up to 1000 mL, check pH = 7.0±0.2.

Source: r/chemistry

ACN vs MeOH — which to choose? +

ACN: niższa lepkość (mniejsze ciśnienie), UV cutoff 190 nm. MeOH: 40% tańszy, ale wyższe ciśnienie +50 bar i UV cutoff 205 nm. Dla gradientu: ACN preferowany.

Source: Chromatography Forum

Can I use distilled water instead of HPLC grade? +

NIE dla LC-MS (sole w wodzie dest. → piki duchów). OK dla UV-HPLC tylko jeśli filtrujesz 0.22 μm. Bezpiecznie: HPLC grade 9 zł/L.

Source: ResearchGate

2. Gradient Optimization Timeline, slope, retention control

Gradient Problem From The Lab

Impurity profiling per ICH Q3

You are developing a stability-indicating method. You have to detect impurities at the 0.05% level. System suitability: Rs ≥ 2.0, LOD 0.01%.

Our Gradient Strategy

Initial hold 0–2 min @ 5% B — sample adsorbs on the head
Ramp 2–15 min do 95% B — linear, curve 6 (Empower)
Final hold 15–20 min @ 95% B — elute strongly retained
Re-equilibrate 20–23 min back to 5% B + 5 col.volumes

Gradient Visualizer

Gradient Timeline

#	Time	%B start	%B end	Duration	Slope (Δ%B/min)	Step

Slope & Dwell Volume Test

Flow rate (mL/min)

Gradient time (min)

%B start

%B end

—

Slope (Δ%B/min)

—

Gradient volume (mL)

—

Dwell vol estimate (mL)

—

k*·t₀ (dla Rs)

💡 Rule of thumb: slope 2-5 %B/min gives the best peak shape · dwell vol = empty tubing from the pump to the column (check a blank run without the column) · k*·t₀ ≥ 3 dla Rs ≥ 2.0.

Snyder-Dolan LSS Model

Log k = log k_w − S·φ, gdzie φ = fraction B. Optymalny gradient: Δφ ≈ 0.6–0.8 per 5 t₀. Dla kolumny 250×4.6mm @ 1 mL/min → t₀ ≈ 2 min → gradient 10–12 min.

Frequently Asked Questions

Jakie Rt przewidywane dla ethane-1,2-diol na kolumnie C18 150mm? +

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla ethane-1,2-diol (logP=) → szacunkowe Rt=— min. ±30% wariancja zależnie od dead volume i gradient slope. Walidacja: wstrzyknij standard 10 μg/mL, zmierz Rt rzeczywisty, dostosuj gradient.

Source: Predictive modeling

Dlaczego linear gradient a nie step? +

Linear = płynne odklejanie związku od kolumny = lepszy peak shape (Tf < 1.3). Step gradient daje shock waves = artifacts.

Source: Snyder Seminar

How to set the starting %B in the gradient? +

Heurystyka Snydera: start%B = (logP - 1) × 10. Dla logP=2 → start 10% B. Zawsze z 2 min isocratic hold aby pozwolić próbce zaadsorbować.

Source: LCGC

3. Column Selection C18, particle size, dimensions

Column Choice Dilemma

How to prepare the mobile phase for the first time

Protokół mówi "ACN/H₂O 60:40". W szafce masz ACN HPLC grade i wodę z kranu. Nikt ci nie powiedział, że kran = dramat. Koszt błędu: zniszczona kolumna 1800 PLN.

Recommended Columns

Zorbax Eclipse Plus C18

150×4.6 mm · 3.5 μm · pH 2–9

Waters XBridge C18

150×4.6 mm · 3.5 μm · pH 1–12 (high pH)

Phenomenex Kinetex C18

100×4.6 mm · 2.6 μm core-shell · fast

Column Lifetime Rules

Clean samples: 2000–5000 injections
Biological matrix: 500–1000 injections
Crude extracts: 100–500 injections
Guard column = +4× main column lifetime

Frequently Asked Questions

Co to guard column i czy warto? +

Mała kolumnka (2cm) PRZED główną. Łapie zanieczyszczenia. Koszt 200 PLN, wymiana co 100 wstrzyknięć. Oszczędność: 1600 PLN na lifetime głównej kolumny.

Source: Agilent App Notes

C18 vs C8 — which one when? +

C18 (18 węgli, bardziej lipofilowa) dla logP 0-5. C8 (8 węgli) dla bardzo polarnych (logP <0). C4 dla białek. Twój związek logP~2 → C18.

Source: Phenomenex Knowledge

Dla MW=62.07 — jaka porozumienie kolumny (pore size)? +

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW=62.07 (CAS 107-21-1) use a standard C18 100 Å column.

Source: Phenomenex Guide

4. Detection Settings UV wavelength, bandwidth, response

Detection Gotcha

Eksport chromatogramu do raportu

Your boss wants a PNG of the chromatogram for a presentation. You only have ChemStation with a .ch file. How to get from .ch → PNG?

DAD Settings

Parameter	Value	Why
Wavelength	210 nm (primary) + 254 nm (aromatic)	Uniwersalne dla COOH/C=O
Bandwidth	4 nm	Balance of sensitivity vs selectivity
Response time	0.5 s	Zgodne z peak width ~5 s
Reference λ	360 nm, bw 100 nm	Kompensacja baseline drift

Alternative Detectors

RID — for compounds without UV absorbance (sugars, polymers). Sensitivity x1000 lower.
ELSD — uniwersalny, ale destroys sample (niezgodny z MS).
LC-MS/MS — LOD 1 pg, strukturalna potwierdzenie via MRM.
CAD — charged aerosol, lepsze od ELSD dla lipid/polar.

5. Method Validation SST, precision, accuracy, robustness

Validation Reality Check

Change control: transfer the method to a new HPLC

The old Agilent 1100 is due for replacement. New Waters Arc. How to run transfer validation without a repeat full validation?

USP <621> + ICH Q2(R1) Criteria

Parameter	Acceptance	Formula
Resolution (Rs)	≥ 2.0	2(t_R2 − t_R1) / (w₁ + w₂)
Tailing factor (Tf)	≤ 1.5	W_0.05 / (2·f)
Plates (N)	≥ 5000	16·(t_R / w)²
RSD (6 injections)	≤ 2.0%	σ / μ × 100%
Linearity (R²)	≥ 0.9990	80–120% spec, 5 levels

Pre-Flight SST Checklist

Inject the standard 6× in a row
Calculate Rs, Tf, N, RSD for each
ALL pass → proceed with samples
ANY fail → STOP, troubleshoot FIRST

Regulatory Compliance

The method was designed in accordance with the regulations below. Click a badge to see compliance details.

USP <621> Chromatography Compliant

United States Pharmacopeia General Chapter — requirements for HPLC systems.

Resolution (R_s) &geq; 2.0
Tailing factor (T_f) &leq; 2.0
Theoretical plates (N) &geq; 2000
Relative standard deviation (RSD) &leq; 2.0% (6 replicates)

Reference: USP-NF 2024, General Chapter <621> Chromatography

ICH Q2(R1) Method Validation Compliant

International Council for Harmonisation — walidacja metod analitycznych.

Specificity — baseline separation of all analytes
Linearity — R² &geq; 0.9990, 5 levels (80–120% of spec)
Accuracy — 98–102% recovery
Precision — RSD &leq; 2.0% (repeatability), &leq; 3.0% (intermediate)
Robustness — DoE across 5 factors (flow ±10%, temp ±5°C, pH ±0.2, %B ±2%, λ ±2 nm)

Reference: ICH Q2(R1) Validation of Analytical Procedures, 2005

EP 2.2.46 European Pharmacopoeia Compliant

European Pharmacopoeia — chromatographic separation techniques.

Harmonizowane z USP
System suitability identical do USP
Dopuszczalne substytucje kolumn per „same selectivity"

Reference: EP 11.0, Chapter 2.2.46

JP 2.00 Japanese Pharmacopoeia Compliant

Japanese Pharmacopoeia — aligned with USP/EP harmonisation after 2020.

Harmonizowane z USP post-2020
Japanese labs may require additional local validation

Reference: JP 18th Edition, General Chapter 2.00

FDA 21 CFR 211 cGMP Compliant

Current Good Manufacturing Practice for pharmaceutical products (USA).

§211.22 — QC unit responsibilities
§211.160 — laboratory controls
§211.165 — testing and release
§211.194 — laboratory records (complete + audit trail)
Data integrity per ALCOA+

Reference: 21 CFR Part 211 — Current Good Manufacturing Practice

ISO 17025 Testing Labs Aligned

International standard for the competence of testing laboratories.

Method validation per ISO 17025 §7.2
Measurement uncertainty udokumentowana
Traceability to SI units

Reference: ISO/IEC 17025:2017

Method Comparison Matrix

Comparison of our recommended method vs USP Monograph vs PubMed literature vs Vendor Application Note.

Parametr	Nasza metoda ★	USP <621>	Literatura	Vendor (Agilent)
Kolumna	Zorbax Eclipse Plus C18 150×4.6 mm	L1 (C18, bonded, 5 μm)	n/a (brak PubMed refs dla tego CAS)	Zorbax SB-C18 150×4.6 mm
Particle size	3.5 μm	5 μm (USP default)	—	5 μm
Faza A	10 mM NH₄HCO₃ pH 7.0	Phosphate buffer pH 2.5	—	0.1% TFA w H₂O
Faza B	Acetonitryl HPLC grade	Acetonitryl / Methanol	—	Acetonitryl / 0.1% TFA
Gradient	5 → 95% B w 15 min (linear)	Isocratic (preferowane w USP)	—	10 → 90% B w 20 min
Flow	1.0 mL/min	1.5 mL/min	—	1.0 mL/min
Temperatura	30°C	25°C	—	40°C
Detekcja	UV 210 nm + 254 nm	UV 254 nm (standard USP)	—	DAD 210/254 nm
Runtime	23 min	30 min	—	25 min
Rs (typ.)	2.3	≥ 2.0	—	2.1
Walidacja	USP <621> + ICH Q2(R1)	USP <621> obligatoryjnie	—	Application note only
Solvent cost/run	~5 PLN/run	~7 PLN/run	—	~6 PLN/run

Nasza = optymalizowana na koszt + czas + Rs ≥ 2.0 USP = pharmacopoeia reference (regulatory gold standard) Literatura = top-cited PubMed ref dla tego CAS Vendor = Agilent/Waters/Thermo application note

Interactive Troubleshooting Tree

Pick a symptom → see the most likely causes → click to see the fix.

Temperatura kolumny niestabilna 55%

Diagnoza: Column oven on? 30°C?

Fix: Turn the column thermostat on to 30°C.

⏰ 5 min warm-up ✓ 90% success rate

Wrong wavelength (254 nm vs 210 nm) 40%

Diagnoza: Method → DAD → Primary λ — check whether it is 210

Fix: Change the wavelength to 210 nm for compounds without aromatic rings.

⏰ 2 min ✓ 90% success rate

UV lamp not switched on 35%

Diagnoza: Status lampki na detektorze — zielona?

Fix: Turn on the lamp, wait 3-5 min for warm-up.

⏰ 5 min ✓ 95% success rate

Sample concentration too low 20%

Diagnoza: Is the sample >0.1 mg/mL?

Fix: Increase the concentration 10× to 1 mg/mL.

⏰ 10 min ✓ 85% success rate

Column clogged with particles 70%

Diagnoza: Do you filter samples through 0.22 μm?

Fix: Replace the column frit OR the guard column. In future, filter every sample.

⏰ 15 min 💵 200 PLN ✓ 75% success rate

Gradient za szybki 60%

Diagnoza: Jaki slope %B/min?

Fix: Zwolnij gradient: 13→56% B w 20 min zamiast 15 min.

✓ 80% success rate

Flow za wysoki 25%

Diagnoza: Flow 1.5 mL/min?

Fix: Zmniejsz do 0.8 mL/min.

✓ 70% success rate

Incorrect buffer pH 70%

Diagnoza: Zmierz pH bufora — 7.0±0.2?

Fix: Make fresh buffer 10 mM NH₄HCO₃ pH 7.0.

⏰ 15 min 💵 10 PLN ✓ 85% success rate

Column worn out 20%

Diagnoza: Number of injections? >2000?

Fix: Regeneruj: flush 100% ACN 30 min, potem 100% MeOH 30 min.

⏰ 1h 💵 20 PLN solvent ✓ 60% success rate

Overloading (too much sample) 10%

Diagnoza: Fronting + tailing at the same time? Concentration >5 mg/mL?

Fix: Reduce inj. vol 10→5 μL or dilute 2×.

⏰ 5 min ✓ 90% success rate

Frequently Asked Questions

Co to system suitability test (SST)? +

6× wstrzyknięcie standardu PRZED próbkami. Mierzysz Rs, Tf, RSD, N. Wszystkie muszą być PASS — inaczej nie analizuj. Kryteria: USP .

Source: USP Online

Spec limits for ethane-1,2-diol — how to set them? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla ethane-1,2-diol (CAS 107-21-1) sprawdź: (1) USP monograph jeśli istnieje, (2) kompendium pharmacopoeia wewnętrzna, (3) ICH Q6A dla specyfikacji nowych substancji. Related substances ≤0.10% per ICH Q3A.

Source: ICH Q6A

What if Rs=1.9 (fail)? +

USP : Rs ≥ 2.0. Fix: (1) wolniejszy gradient +30%, (2) niższy flow 0.8 mL/min, (3) dłuższa kolumna 250mm, (4) niższa temp 20°C.

Source: FDA Guidance

6. Sample Preparation Dilution, filtration, storage

Prep Mistakes That Ruined The Run

48 godzin stracone na niewidoczne piki

Day 1 — I prepared the sample, injected it, baseline flat. Day 2 — I repeated it 6× with different samples. Nothing. Wave check? Professor: "Take a look at the DAD scan". λ_max = 214 nm, and I had 254 nm set.

Lesson learned (Anna K., studentka 2. rok, PW, 2024-11-15):
ALWAYS run a UV scan of an unknown compound BEFORE the method. 254 nm = aromatics only. 210 nm = universal. Time saved: 2 days of work.

Sample Prep Protocol

Dissolve 10 mg of sample in 10 mL of mobile phase (initial composition)
Sonikuj 5 min → vortex 30 s
Filtruj 0.22 μm PTFE (nie PVDF — adsorbuje!)
Transfer 1 mL do HPLC vial z septum PTFE/silikon
Przechowuj 4°C max 48h

Why Filter 0.22 μm?

Particles >0.22 μm clog the column inlet frit. Pressure rises +50 bar per 100 injections. Column lifetime drops from 2000 to 500 injections. Filter cost: 2 PLN. Column cost: 1800 PLN.

7. Downloads & Resources PDF method, SOP template, validation protocols

Complete Method PDF

Full protocol with all parameters

SOP Template

GMP-compliant SOP template

Validation Protocol

ICH Q2(R1) validation template

Bibliography (.bib)

All references in BibTeX format

Forensic Fix — real failure stories Lessons learned

Real chemists' mishaps — what happened, what helped, what to avoid.

FDA finding — audit trail disabled

Director of QC, pharma 2025-11-04 Poziom 5/5

What happened:

FDA inspection Q3 2025. Warning Letter: "Empower audit trail disabled w 3 sekwencjach 2024-12". Investigation: stary operator który odszedł, miał privilege „Disable audit" do troubleshoot. NIKT nie wyłączył mu privileged after departure.

💡 Lekcja:

Privileged access review MONTHLY. Disable audit trail should never be enabled on prod. HR offboarding MUST trigger IT access revocation. Cost: 483 forms + 6 months of remediation.

10 columns in 2 months — wrong filter

Marta K., QC supervisor, pharma company 2025-02-10 Poziom 4/5

What happened:

Q1 audit: column cost +340% vs Q4. QA blamed the lab. Investigation: a new operator was using a 0.45 μm filter instead of 0.22 μm. Microparticles got through the guard and were killing the main columns by the 100th injection.

💡 Lekcja:

The filter SOP must be WRITTEN and checked every batch. 0.22 μm is the standard per USP . Cost of the error: 10 columns × 1800 PLN = 18,000 PLN + audit finding.

Ask about this method

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🔄 Alternatywne produktyMolGod_ALTPROD_1

⚠️ UWAGA NAUKOWA — Single-CAS Integrity
Listed below are OTHER molecules (structural alternatives / Tanimoto similarity). All physicochemical values (MW, pKa, LD50, GHS, spectra) apply to THESE alternatives, NOT the current molecule (CAS 107-21-1). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.

2-Methyl-1,3-Propanediol (MPO)

Ta sama kategoria · Ta sama kategoria produktu

PEG (350/400/600/800/1000/2000)

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PPG (400/700/1000/2000/3000/4000)

Ta sama kategoria · Ta sama kategoria produktu

1,1′-Oxydi-2-propanol

Ta sama kategoria · Ta sama kategoria produktu

🧪

N-Hexyl alcohol

Ta sama kategoria · Ta sama kategoria produktu

📄 Certificates of Analysis (CoA) CAS 107-21-1 none MolGod_COA_2

No certificates for this product in the database.

📚 Scientific references (Chicago Author-Date) — click to expand

Batch management and laboratory certification standards — 13 independent sources (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).

International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [link ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [link ↗] — Lab accreditation standard underpinning every CoA
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [link ↗] — WHO TRS No. 957 — global reference for GMP
International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [link ↗] — Source for batch shelf-life and retest dating
International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [link ↗]
International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [link ↗] — CoA acceptance-criteria specification standard
International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [link ↗]
U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [link ↗] — US legal mandate (Subpart J — Records and Reports)
European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [link ↗]
United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [link ↗]
European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [link ↗]
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [link ↗] — Cross-recognized GMP for 54 inspectorates worldwide
International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [link ↗] — Excipient-grade CoA standard for non-API ingredients

🧮 Ceny hurtowe (B2B)MolGod_BULK_1

Bulk orders? Contact us.

📜 Patents (public metadata) no data MolGod_PATENT_2

No public patent metadata was found for this substance in Crossref / OpenAlex at this time. Data will be updated automatically after the next cache refresh (24h).

📚 References (Chicago Author-Date) — click to expand

Chivin, Sun. "Synthesis of spirosilicates directly from silica and ethylene glycol/ethylene glycol derivatives.". https://doi.org/10.58837/chula.the.2000.1699.
Anonymous. "All-Atom Molecular Dynamics Simulations of Poly(ethylene glycol) Networks in Water for Evaluating Negative Energetic Elasticity.". https://doi.org/10.1021/acs.macromol.3c01121.s001.
Anonymous. "Poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) Copolymer 2D Single Network at the AirWater Interface.". https://doi.org/10.1021/acs.langmuir.0c01398.s001.
Anonymous. "Poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) Copolymer 2D Single Network at the AirWater Interface.". https://doi.org/10.1021/acs.langmuir.0c01398.s002.
Anonymous. "Identification of Poly(ethylene glycol) and Poly(ethylene glycol)-Based Detergents Using Peptide Search Engines.". https://doi.org/10.1021/acs.analchem.8b00365.s007.
et al.. (2021). "Reference Correlation for the Viscosity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 465 K and up to 100 MPa.". https://doi.org/10.1007/s10765-021-02867-0
et al.. (2021). "Reference Correlation for the Thermal Conductivity of Ethane-1,2-diol (Ethylene Glycol) from the Triple Point to 475 K and Pressures up to 100 MPa.". https://doi.org/10.1007/s10765-021-02904-y
Olanrewaju Sam Olayeriju, Olusola Olalekan Elekofehinti, Mary Tolulope Olaleye et al.. (2021). "Activation of NRF2/HO-1 Pathway by aqueous methanolic leaf extract of Triclisia gilletii and selected identified compounds in Triclisia gilletii, modulates crystal binding genes (CD44/OPN) in Ethane-1,2-diol-induced nephrolithic rats". Phytomedicine Plus. https://doi.org/10.1016/j.phyplu.2021.100066
Clark Candyce R., Hosten Eric C., Betz Richard. (2021). "The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5". Zeitschrift für Kristallographie - New Crystal Structures. https://doi.org/10.1515/ncrs-2020-0529
Lorenzo Gontrani, Pietro Tagliatesta, Antonio Agresti et al.. (2020). "New Insights into the Structure of Glycols and Derivatives: A Comparative X-Ray Diffraction, Raman and Molecular Dynamics Study of Ethane-1,2-Diol, 2-Methoxyethan-1-ol and 1,2-Dimethoxy Ethane". Crystals. https://doi.org/10.3390/cryst10111011
O. S. Olayeriju, O. O. Crown, O. O. Elekofehinti et al.. (2020). "Effect of moonseed vine (Triclisia gilletii Staner) on ethane-1,2-diol-induced urolithiasis and its renotoxicity in Wistar albino rats". African Journal of Urology. https://doi.org/10.1186/s12301-020-0018-x
Kai-Long Zhong. (2018). "catena-Poly[[[bis(glycolato-κ2O,O′)copper(II)]-μ-4,4′-bipyridine-κ2N:N′] ethane-1,2-diol monosolvate]". IUCrData. https://doi.org/10.1107/S2414314618016322
Jochen Winkelmann. (2017). "Diffusion coefficient of ethane-1,2-diol into water and ethane-1,2-diol solution". Diffusion in Gases, Liquids and Electrolytes. https://doi.org/10.1007/978-3-540-73735-3_1133
Christian Wohlfarth. (2017). "Viscosity of the binary liquid mixture of ethane-1,2-diol and propane-1,2-diol". Viscosity of Pure Organic Liquids and Binary Liquid Mixtures. https://doi.org/10.1007/978-3-662-49218-5_768
Christian Wohlfarth. (2017). "Viscosity of the binary liquid mixture of ethane-1,2-diol and ethane-1,2-diamine". Viscosity of Pure Organic Liquids and Binary Liquid Mixtures. https://doi.org/10.1007/978-3-662-49218-5_764
Christian Wohlfarth. (2017). "Viscosity of the binary liquid mixture of ethane-1,2-diol and propane-1,3-diol". Viscosity of Pure Organic Liquids and Binary Liquid Mixtures. https://doi.org/10.1007/978-3-662-49218-5_769
(2013). "Poly[aqua-(μ2-4,4'-bipyridine-κ(2) N:N')(ethane-1,2-diol-κO)(μ2-sulfato-κ(2) O:O')nickel(II)].". https://doi.org/10.1107/s1600536813003772
(2013). "Poly[diaqua-bis-(μ-4,4'-bipyridine-κ(2) N:N')bis-(ethane-1,2-diol-κO)bis(μ-sulfato-κ(2) O:O')dicobalt(II)].". https://doi.org/10.1107/s1600536813006685
(2010). "Bis(2,2'-bipyridyl-κN,N')(sulfato-κO,O')zinc(II) ethane-1,2-diol solvate.". https://doi.org/10.1107/s1600536809055433
et al.. (2000). "Lipase-catalyzed transesterification of 2-hydroxy-2-(pentafluorophenyl)acetonitrile leading to (1R,2R)- and (1S,2S)-bis(pentafluorophenyl)ethane-1,2-diol". https://doi.org/10.1021/jo9918551
Kajal Krishna Rajak, Sujit Mondal, Sankar Prasad Rath. (2000). "Synthesis, structure and properties of mononuclear oxovanadium(V) alkoxides incorporating chelated ethane-1,2-diol and propane-1,3-diol". Polyhedron. https://doi.org/10.1016/s0277-5387(00)00336-3
(1998). "Synthesis of alpha,alpha-, alpha,Beta-, and Beta,Beta-(dimaltoside)s of ethane-1,2-diol, propane-1,3-diol, and butane-1,4-diol: a proposal for an initial adhesion mode.". https://doi.org/10.1016/s0008-6215(98)00191-8
(1989). "Simple enzymatic screening assay for ethylene glycol (ethane-1,2-diol) in serum.". https://doi.org/10.1016/0009-8981(89)90153-8
World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of Synthetic Accessibility Score of Drug-Like Molecules Based on Molecular Complexity and Fragment Contributions." Journal of Cheminformatics 1: 8.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.

REST: /wp-json/molgod/v1/patents/107-21-1?status=active&limit=10

Extended Bibliography (5)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Chivin, Sun. "Synthesis of spirosilicates directly from silica and ethylene glycol/ethylene glycol derivatives.". https://doi.org/10.58837/chula.the.2000.1699. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "All-Atom Molecular Dynamics Simulations of Poly(ethylene glycol) Networks in Water for Evaluating Negative Energetic Elasticity.". https://doi.org/10.1021/acs.macromol.3c01121.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) Copolymer 2D Single Network at the AirWater Interface.". https://doi.org/10.1021/acs.langmuir.0c01398.s001. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) Copolymer 2D Single Network at the AirWater Interface.". https://doi.org/10.1021/acs.langmuir.0c01398.s002. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. "Identification of Poly(ethylene glycol) and Poly(ethylene glycol)-Based Detergents Using Peptide Search Engines.". https://doi.org/10.1021/acs.analchem.8b00365.s007. link [accessed: 2026-09-23] CC0 (metadata)

Data from PubChemSource: PubChem (NIH) · ChEMBL

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📚 REFERENCES (Aggregate bibliography, Chicago Author-Date) 122 items

All scientific sources cited in the accordions above for CAS 107-21-1. Format: Chicago Manual of Style 17th ed., Author-Date system.

🗄️ Scientific databases

NIST. n.d. NIST Chemistry WebBook: CAS 107-21-1. Gaithersburg, MD: National Institute of Standards and Technology. https://webbook.nist.gov/cgi/cbook.cgi?ID=107-21-1.
AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 107-21-1. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
PubChem. n.d. PubChem Compound Summary: CAS 107-21-1. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=107-21-1.

📐 Standards / Guidelines

ICH. 2003. "Stability Testing of New Drug Substances and Products: Q1A(R2)." Geneva: International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use. https://database.ich.org/sites/default/files/Q1A%28R2%29%20Guideline.pdf.
National Fire Protection Association (NFPA). 2024. "NFPA 30: Flammable and Combustible Liquids Code." NFPA, Quincy, MA. https://www.nfpa.org/codes-and-standards/all-codes-and-standards/list-of-codes-and-standards/detail?code=30.
Occupational Safety and Health Administration (OSHA). 2023. "29 CFR 1910.106 — Flammable Liquids." U.S. Department of Labor, Federal Register. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.106.
European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=205:110:::::FSP_PROJECT,FSP_ORG_ID:38536,6080&cs=1B0DAA8B85DF42E4A2C70E5D71F0BFA32.
European Committee for Standardization (CEN). 2001. "EN 166:2001 — Personal eye-protection — Specifications." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:6541&cs=1F1A4E0A78C4DB6A28DBE2E8C29D89DCF.
European Committee for Standardization (CEN). 2009. "EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections." CEN, Brussels. https://standards.cencenelec.eu/dyn/www/f?p=CEN:110:0::::FSP_PROJECT:21581&cs=1A04A2D3C7CC58E9E6CB58D55F7EBFB7E.
National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
Occupational Safety and Health Administration (OSHA). 2011. "Personal Protective Equipment — General requirements." U.S. Department of Labor — 29 CFR 1910.132. https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.132.

📖 Books

Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook, 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/Hansen-Solubility-Parameters-A-Users-Handbook/Hansen/p/book/9780849372483.
Barton, Allan F. M. 1991. CRC Handbook of Solubility Parameters and Other Cohesion Parameters: 2nd ed.. Boca Raton, FL: CRC Press. https://www.routledge.com/CRC-Handbook-of-Solubility-Parameters-and-Other-Cohesion-Parameters/Barton/p/book/9780849301766.
Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
Urben, Peter G. 2017. Bretherick's Handbook of Reactive Chemical Hazards, 8th Edition. Academic Press / Elsevier, Oxford. https://www.sciencedirect.com/book/9780081010594.

📄 Scientific articles (peer-reviewed)

Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.

🌐 Websites

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ECHA. 2023. "Candidate List of Substances of Very High Concern for Authorisation." European Chemicals Agency. https://echa.europa.eu/candidate-list-table.
European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
ECHA. 2017. "Guidance on the Compilation of Safety Data Sheets." Version 3.1. European Chemicals Agency. ECHA-17-G-01-EN. https://echa.europa.eu/documents/10162/23047722/sds_en.pdf.
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Ethylene glycol

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Technical reading on Ethylene glycol

Is triethylene glycol hazardous? TEG facts

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Glycol ethers in de-icing fluids

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