Polypropylene Glycol

PPG, Polypropylene glycol

CAS 25322-69-4 EC 200-853-4 HO-(C3H6O)n-H Alcohol SDS published

Specification

Product Name	Polypropylene Glycol
Other Names	PPG, Polypropylene glycol
CAS No.	25322-69-4
EINECS No.	200-853-4
MF	HO-(C3H6O)n-H
Molecular weight	200-8000+(customizable)
Purity	99.0%(varies by grade)
Appearance	Colorless viscous liquid
Density	~1.00-1.02 g/mL at 25 °C
Melting point	Varies (below 0 °C for liquid grades)
Boiling point	>200 °C
Flashing point	>150 °C (closed cup)

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

Packaging and shipping

Drum225 kg

IBC Drum1127 kg

ISO tank (20ft)24–26 m³

ISO tank (40ft)48–50 m³

Polypropylene Glycol, abbreviated as PPG, is a colorless, odorless, non-toxic viscous liquid with excellent stability, lubricity and water solubility. It is a polyether compound produced by polymerization of propylene oxide, with different molecular weights available to meet various industrial demands. It features good compatibility, low volatility, high thermal stability and anti-oxidation properties, making it widely used in cosmetics, polyurethane, coatings, lubricants and chemical industries.

In cosmetics and personal care, PPG acts as an effective moisturizer, emollient and dispersant, improving skin feel and product texture without irritation. In polyurethane production, it serves as a key raw material for foam, elastomers and sealants, providing excellent flexibility and durability. It is also widely used as a lubricant, anti‑foaming agent, plasticizer and solvent in industrial fields.

PPG is safe, environmentally friendly and easy to use. It should be stored in a cool, dry and sealed condition, away from strong oxidants. With stable performance and high purity, it is a high-quality raw material widely applied in many industries around the world.

Polypropylene Glycol (PPG) Multi-functional Solution | Covers multiple industries such as coatings, cosmetics, and polyurethane | Customizable parameters, stable supply chain guarantee

Product Description

Polypropylene Glycol (PPG) is a high-purity, synthetic polyether polyol derived from the polymerization of propylene oxide.

It is a clear, colorless, and nearly odorless viscous liquid with excellent hydrophobicity, low volatility, and high thermal stability.

PPG exhibits outstanding solubility in organic solvents and good compatibility with various polymers, resins, and surfactants.

It is non-toxic, non-irritating, and chemically inert, making it suitable for diverse industrial applications. PPG is typically supplied in sealed,

moisture-proof steel drums or IBC tanks (200L/1000L) to ensure product stability and prevent contamination.

All packaging meets international transportation and storage standards, guaranteeing safe handling and long-term quality preservation.

PPG is a versatile chemical widely used in polyurethane production, lubricants, surfactants, and personal care products. In the polyurethane industry,

it serves as a key raw material for flexible foams, elastomers, and coatings, enhancing flexibility, durability, and weather resistance. As a lubricant and anti-wear agent,

PPG reduces friction in mechanical systems and hydraulic fluids. In cosmetics and personal care, it acts as a humectant, emollient, and solvent,

improving product texture and skin compatibility. Additionally, PPG functions as a defoamer, emulsifier, and chemical intermediate in textile, paint, and plastic industries.

Its unique properties and eco-friendly characteristics make PPG an indispensable material in modern manufacturing.

Polypropylene Glycol (PPG) Multi-functional Solution | Covers multiple industries such as coatings, cosmetics, and polyurethane | Customizable parameters, stable supply chain guarantee

Delivery&Payment method

Polypropylene Glycol (PPG) Multi-functional Solution | Covers multiple industries such as coatings, cosmetics, and polyurethane | Customizable parameters, stable supply chain guarantee

Frequently asked

In what packaging is Polypropylene 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 Polypropylene Glycol?

Yes. A full safety data sheet for CAS 25322-69-4 is published and linked from this page; a signed copy is issued with the shipping documents.

What purity do you supply?

The standard grade is 99.0%(varies by grade). Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Polypropylene Glycol

Polypropylene glycol: grades, properties and uses

PPG is a family of polyether polyols rather than one substance, and the grade code carries the information…

Article

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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 25322-69-4MolGod_PROPHUB_MAIN

No data in our database for CAS 25322-69-4.

Check external sources:

Chemical Overview: Polypropylene glycolMolGod_OVERVIEW_1

IUPAC name

Propane-1,2-diol, propoxylated

Data sources: PubChem (NLM/NIH)
Last updated: 2026-09-17

SCIENTIFIC RESEARCH

[1]PubMed2024

Blood compatibility of poly(propylene glycol diester) and its water structure observed by differential scanning calorimetry and (2)H-nuclear magnetic…

Mochizuki A, Udagawa A, Miwa Y et al.. (2024). "Blood compatibility of poly(propylene glycol diester) and its water structure observed by differential scanning calorimetry and (2)H-nuclear magnetic re

[2]PubMed2023

Nanoblock-mediated selective oncolytic polypeptide therapy for triple-negative breast cancer.

Zhong C, Li J, Liu S et al.. (2023). "Nanoblock-mediated selective oncolytic polypeptide therapy for triple-negative breast cancer.". Theranostics. https://doi.org/10.7150/thno.81834

[3]PubMed2023

Side Chain Dynamics of Poly(norbornene)-g-Poly(propylene oxide) Bottlebrush Polymers.

Bichler KJ, Jakobi B, Klapproth A et al.. (2023). "Side Chain Dynamics of Poly(norbornene)-g-Poly(propylene oxide) Bottlebrush Polymers.". Macromolecular rapid communications. https://doi.org/10.1002/

[4]PubMed2023

Corn Oil-Water Separation: Interfacial Behavior of Extended Surfactant and Glutelin.

Gao J, Rossi D, Chen X et al.. (2023). "Corn Oil-Water Separation: Interfacial Behavior of Extended Surfactant and Glutelin.". Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1

[5]PubMed2022

Precise Non-Equilibrium Polypropylene Glycol Polyrotaxanes.

Seale JSW, Song B, Qiu Y et al.. (2022). "Precise Non-Equilibrium Polypropylene Glycol Polyrotaxanes.". Journal of the American Chemical Society. https://doi.org/10.1021/jacs.2c05405

[6]PubMed2020

Thermoresponsive Polysaccharide Graft Polymer Vesicles with Tunable Size and Structural Memory.

Nishimura T, Shishi S, Sasaki Y et al.. (2020). "Thermoresponsive Polysaccharide Graft Polymer Vesicles with Tunable Size and Structural Memory.". Journal of the American Chemical Society. https://doi

[7]PubMed2015

Phosphorylcholine-Based Zwitterionic Biocompatible Thermogel.

Ko du Y, Patel M, Jung BK et al.. (2015). "Phosphorylcholine-Based Zwitterionic Biocompatible Thermogel.". Biomacromolecules. https://doi.org/10.1021/acs.biomac.5b01169

[8]PubMed2012

Safety assessment of propylene glycol, tripropylene glycol, and PPGs as used in cosmetics.

Fiume MM, Bergfeld WF, Belsito DV et al.. (2012). "Safety assessment of propylene glycol, tripropylene glycol, and PPGs as used in cosmetics.". International journal of toxicology. https://doi.org/10.

📚 Scientific references (Chicago Author-Date) 20 refs · 2 baz

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

Sources: db:pubmed (15) · db:crossref (5)

db:pubmed Mochizuki A, Udagawa A, Miwa Y et al.. (2024). "Blood compatibility of poly(propylene glycol diester) and its water structure observed by differential scanning calorimetry and (2)H-nuclear magnetic resonance spectroscopy.". Journal of biomaterials science. Polymer edition. https://doi.org/10.1080/09205063.2024.2324505 →
db:pubmed Zhong C, Li J, Liu S et al.. (2023). "Nanoblock-mediated selective oncolytic polypeptide therapy for triple-negative breast cancer.". Theranostics. https://doi.org/10.7150/thno.81834 →
db:pubmed Bichler KJ, Jakobi B, Klapproth A et al.. (2023). "Side Chain Dynamics of Poly(norbornene)-g-Poly(propylene oxide) Bottlebrush Polymers.". Macromolecular rapid communications. https://doi.org/10.1002/marc.202200902 →
db:pubmed Gao J, Rossi D, Chen X et al.. (2023). "Corn Oil-Water Separation: Interfacial Behavior of Extended Surfactant and Glutelin.". Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1021/acs.langmuir.3c01027 →
db:pubmed Seale JSW, Song B, Qiu Y et al.. (2022). "Precise Non-Equilibrium Polypropylene Glycol Polyrotaxanes.". Journal of the American Chemical Society. https://doi.org/10.1021/jacs.2c05405 →
db:pubmed Nishimura T, Shishi S, Sasaki Y et al.. (2020). "Thermoresponsive Polysaccharide Graft Polymer Vesicles with Tunable Size and Structural Memory.". Journal of the American Chemical Society. https://doi.org/10.1021/jacs.0c02290 →
db:pubmed Ko du Y, Patel M, Jung BK et al.. (2015). "Phosphorylcholine-Based Zwitterionic Biocompatible Thermogel.". Biomacromolecules. https://doi.org/10.1021/acs.biomac.5b01169 →
db:pubmed Fiume MM, Bergfeld WF, Belsito DV et al.. (2012). "Safety assessment of propylene glycol, tripropylene glycol, and PPGs as used in cosmetics.". International journal of toxicology. https://doi.org/10.1177/1091581812461381 →
db:pubmed Wu W, DeConinck A, Lewis JA. (2011). "Omnidirectional printing of 3D microvascular networks.". Advanced materials (Deerfield Beach, Fla.). https://doi.org/10.1002/adma.201004625 →
db:pubmed Croy SR, Kwon GS. (2006). "Polymeric micelles for drug delivery.". Current pharmaceutical design. https://doi.org/10.2174/138161206779026245 →
db:crossref (2004). "Polypropylene Glycol 25322‐69‐4". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21093 →
db:crossref (2004). "Polypropylene Glycol 425 25322‐69‐4". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21094 →
db:crossref (2004). "Polypropylene Glycol 4025 25322‐69‐4". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21098 →
db:crossref (2004). "Polypropylene Glycol 750 25322‐69‐4". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21095 →
db:crossref (2004). "Polypropylene Glycol 2025 25322‐69‐4". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21097 →
db:pubmed Kawai F. (2002). "Microbial degradation of polyethers.". Applied microbiology and biotechnology. https://doi.org/10.1007/s00253-001-0850-2 →
db:pubmed Gutowska A, Jeong B, Jasionowski M. (2001). "Injectable gels for tissue engineering.". The Anatomical record. https://doi.org/10.1002/ar.1115 →
db:pubmed Morra M. (2000). "On the molecular basis of fouling resistance.". Journal of biomaterials science. Polymer edition. https://doi.org/10.1163/156856200743869 →
db:pubmed Duke T. (1998). "Separation techniques.". Current opinion in chemical biology. https://doi.org/10.1016/s1367-5931(98)80088-4 →
db:pubmed (1980). "Polypropylene glycols.". American Industrial Hygiene Association journal.

Regulatory status of the substance

No entries for this CAS in the restriction lists checked (SVHC candidate list, REACH Annex XVII; datasets incomplete — this is not a confirmation of compliance). CLP classification and transport status (ADR): see the GHS section and the safety data sheet (SDS).

🧪 Chemical DataMolGod_CHEMDATA_1

CAS Number: 25322-69-4
IUPAC name (EN): Propane-1,2-diol, propoxylated

📡 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.

🔍 External identifiersMolGod_EXTID_1

5 of 16 ID systems31%

Database	Identifier	Actions
CAS Registry Number	25322-69-4	Open →
EC Number	500-039-8^[1]	Open →
MeSH UID (NLM)	C012504	Open →
UNII (FDA)	I29VQH0G0B	Open →
WikiData QID	Q409889	Open →

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

📚 Scientific references (Chicago Author-Date) (1 sources)

ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. ↗ dotyczy: EC Number

Dalsza literatura

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

Extended Bibliography (5)

★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. 2012. "Polypropylene Glycol 750 25322‐69‐4." Sax's Dangerous Properties of Industrial Materials: 1-2. https://doi.org/10.1002/0471701343.sdp46780. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. 2004. "Polypropylene Glycol 425 25322‐69‐4." Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21094. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. 2004. "Polypropylene Glycol 25322‐69‐4." Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21093. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. 2004. "Polypropylene Glycol 4025 25322‐69‐4." Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21098. link [accessed: 2026-09-23] CC0 (metadata)
★★☆☆☆ CROSSREF 🔓 OPEN ❓ unverified Anonymous. 2004. "Polypropylene Glycol 750 25322‐69‐4." Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21095. link [accessed: 2026-09-23] CC0 (metadata)

📡 Spectroscopy — CAS 25322-69-4MolGod_SPECHUB_MAIN

📊 Spectroscopic spectra databases — inline data 8 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)

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— points

📚 NIST Chemistry WebBook, SRD 69

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

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— points

📚 NIST Standard Reference Database 1A

UV-Vis UV/Visible Absorption — NIST WebBook

Public domain (US Federal)

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📚 NIST Chemistry WebBook, SRD 69

MS (MoNA) MoNA — MassBank of North America

CC-BY 4.0

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📚 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:

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📚 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)

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📚 WHO INN Programme

DOAJ DOAJ — Directory of Open Access Journals

OA journal index (mixed)

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📚 DOAJ — doaj.org

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

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Structural propertiesMolGod_STRUCT3D_1

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❓ Frequently asked questions (3)MolGod_FAQ_1

What is 25322-69-4?

25322-69-4 (CAS 25322-69-4) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

Helpful?

What is the CAS number of 25322-69-4?

The CAS number for 25322-69-4 is 25322-69-4. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

Helpful?

How should 25322-69-4 be stored?

25322-69-4 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.

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Download structure filesMolGod_STRDL_1

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

📄 .SDF 📄 .MOL 📈 3D JSON

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

🔄 Concentration unit converter LIVE MolGod_UNITCONV_1

Enter the Polypropylene glycol concentration in any unit — the rest will be calculated automatically.

MW: — 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

🧪 Solution Preparation Wizard WIZARD MolGod_PREP_1

① Select concentration

② Target volume

③ Solvent

Calculations per: IUPAC Gold Book ↗, Merck ↗

🛡️ Safety — CAS 25322-69-4MolGod_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.

No harmonised GHS classification for this substance — see the supplier's current safety data sheet (SDS).

☢️ Toxicological data (IARC + EPA CTX)

🧬 IARC Carcinogen Classification

IARC classification:

No individual IARC entry for this CAS No separate IARC monograph in the checked lists — this is NOT confirmation of a lack of carcinogenicity. Check the CLP/GHS classification (CMR / GHS section).

🌍 Ecotoxicology & environmental fate (SDS sec. 8/12)

LC₅₀ (fish): 650 mg/L (Menidia beryllina, 96 h)

Source: U.S. EPA ECOTOX Knowledgebase — https://cfpub.epa.gov/ecotox/

📚 Sources: IARC Monographs (WHO)
Last verified: unconfirmed

📚 Sources · Bibliography (Chicago Notes-Bibliography)

Mochizuki A, Udagawa A, Miwa Y et al.. (2024). "Blood compatibility of poly(propylene glycol diester) and its water structure observed by differential scanning calorimetry and (2)H-nuclear magnetic resonance spectroscopy.". Journal of biomaterials science. Polymer edition. https://doi.org/10.1080/09205063.2024.2324505 [DOI]
Zhong C, Li J, Liu S et al.. (2023). "Nanoblock-mediated selective oncolytic polypeptide therapy for triple-negative breast cancer.". Theranostics. https://doi.org/10.7150/thno.81834 [DOI]
Bichler KJ, Jakobi B, Klapproth A et al.. (2023). "Side Chain Dynamics of Poly(norbornene)-g-Poly(propylene oxide) Bottlebrush Polymers.". Macromolecular rapid communications. https://doi.org/10.1002/marc.202200902 [DOI]
Gao J, Rossi D, Chen X et al.. (2023). "Corn Oil-Water Separation: Interfacial Behavior of Extended Surfactant and Glutelin.". Langmuir : the ACS journal of surfaces and colloids. https://doi.org/10.1021/acs.langmuir.3c01027 [DOI]
Seale JSW, Song B, Qiu Y et al.. (2022). "Precise Non-Equilibrium Polypropylene Glycol Polyrotaxanes.". Journal of the American Chemical Society. https://doi.org/10.1021/jacs.2c05405 [DOI]
Nishimura T, Shishi S, Sasaki Y et al.. (2020). "Thermoresponsive Polysaccharide Graft Polymer Vesicles with Tunable Size and Structural Memory.". Journal of the American Chemical Society. https://doi.org/10.1021/jacs.0c02290 [DOI]
Ko du Y, Patel M, Jung BK et al.. (2015). "Phosphorylcholine-Based Zwitterionic Biocompatible Thermogel.". Biomacromolecules. https://doi.org/10.1021/acs.biomac.5b01169 [DOI]
Fiume MM, Bergfeld WF, Belsito DV et al.. (2012). "Safety assessment of propylene glycol, tripropylene glycol, and PPGs as used in cosmetics.". International journal of toxicology. https://doi.org/10.1177/1091581812461381 [DOI]
Wu W, DeConinck A, Lewis JA. (2011). "Omnidirectional printing of 3D microvascular networks.". Advanced materials (Deerfield Beach, Fla.). https://doi.org/10.1002/adma.201004625 [DOI]
Croy SR, Kwon GS. (2006). "Polymeric micelles for drug delivery.". Current pharmaceutical design. https://doi.org/10.2174/138161206779026245 [DOI]
(2004). "Polypropylene Glycol 25322‐69‐4". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21093 [DOI]
(2004). "Polypropylene Glycol 425 25322‐69‐4". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21094 [DOI]
(2004). "Polypropylene Glycol 4025 25322‐69‐4". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21098 [DOI]
(2004). "Polypropylene Glycol 750 25322‐69‐4". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21095 [DOI]
(2004). "Polypropylene Glycol 2025 25322‐69‐4". Sax's Dangerous Properties of Industrial Materials. https://doi.org/10.1002/0471701343.sdp21097 [DOI]

📚 Consolidated scientific references — Chicago Author-Date 10 sources

References collected from all Safety Hub tabs. CAS: 25322-69-4 · 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)

📅 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

Polypropylene glycol

logP (XLogP3)

—

Polarity

—

⚠️ Estimate based on logP (heuristic). No HSP values in the database — limited precision. Verify experimentally.

Solvent compatibility table not available for this substance.
The Hansen parameters fall outside the range of the method, so the distance Ra cannot be calculated, and the database holds no solubility measurement to put in its place. Rather than eleven ratings with nothing behind them, we show none. Base the solvent choice on the safety data sheet and on experimental data.

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 25322-69-4 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.

⚗️ Check reaction compatibility MolGod_RXNCOMP_1

Check whether Polypropylene 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

Dilution (C₁V₁=C₂V₂)

IUPAC Gold Book ↗

Molarity (M=n/V)

IUPAC Gold Book ↗

pH Buffer (Henderson-Hasselbalch)

IUPAC Gold Book ↗

Beer-Lambert (A=εcl)

IUPAC Gold Book ↗

Mass → Moles

IUPAC Gold Book ↗

Concentration % → M

IUPAC Gold Book ↗

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

🧪 Solution preparation assistant (Smart Prep) MolGod_PREP_2

Enter what you want to prepare — I'll generate an SOP

Examples below — click to insert:

Preset recipes:

📚 Scientific literature overview — CAS 25322-69-4MolGod_LITHUB_MAIN

⭐ Key findings (scientific literature) 2 publications

🏆 CAS 25322-69-4 — multi-criteria ranking (W12): 30% citations · 20% recency · 20% topic · 15% historical · 15% open access.

#1

Precise Non-Equilibrium Polypropylene Glycol Polyrotaxanes.

Seale JSW, Song B, Qiu Y et al. (2022) · Journal of the American Chemical Society

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

SCORE 3.6 Mechanism DOI ↗ PubMed ↗
#2

Chitosan/polypropylene glycol hydrogel composite film designed with TiO(2) nanoparticles: A promising scaffold of biomedical applications.

Ulu A, Birhanlı E, Köytepe S et al. (2020) · International journal of biological macromolecules

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

SCORE 3 Mechanism DOI ↗ PubMed ↗

Tag	TF	DF	IDF	Score
precise non-equilibrium	1	1	1.405	1.968
non-equilibrium polyrotaxanes	1	1	1.405	1.968
chitosan hydrogel	1	1	1.405	1.968
hydrogel composite	1	1	1.405	1.968
composite film	1	1	1.405	1.968
film designed	1	1	1.405	1.968
designed nanoparticles	1	1	1.405	1.968
nanoparticles promising	1	1	1.405	1.968
promising scaffold	1	1	1.405	1.968
scaffold biomedical	1	1	1.405	1.968

🔬 HPLC — methods & parameters — CAS 25322-69-4MolGod_HPLCHUB_MAIN

📈 HPLC gradient — optimizer (LSS) TEMPLATE

logP unknown — PubChem did not return an XLogP value. The gradient below is a generic 5–95% MeCN/H2O template over 15 min; verify parameters before use.

⚠ logP unavailable. PubChem did not return an XLogP3 value for this CAS number. The gradient values below are a generic template — not an LSS fit for this compound.

Column: C18
Buffer: phosphate
Flow: 1 mL/min
logP: logP unavailable
Ramp: 21% → 95% B, 15 min
Total analysis time: 28 min

t (min)	%A	%B	flow (mL/min)	Comment
0	79	21	1	start (equilibrium)
2	79	21	1	end of initial hold
17	5	95	1	end of LSS ramp
22	5	95	1	column wash
23	79	21	1	return to init
28	79	21	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/25322-69-4

📐 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/25322-69-4

🧪 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

Predicted parameters for this molecule (CAS 25322-69-4) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

1.2 min

Range: 0.84 – 1.56

confidence: low

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

confidence: low

Brak MW

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

10 μL

confidence: low

⚠️ 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 (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=, CAS 25322-69-4) zaczynaj od ACN w gradiencie 5→95% B.

Source: Snyder LSS Model

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

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

2. Gradient Optimization Timeline, slope, retention control

Gradient Problem From The Lab

Linearity over a wide range (5 decades)

ICH Q2: 80-120% spec. Your reviewer wants 1 ng/mL to 10 μg/mL (4 decades). How to build 2 calibrations without bias?

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 na kolumnie C18 150mm? +

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla (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

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

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

3. Column Selection C18, particle size, dimensions

Column Choice Dilemma

What to set on the DAD for an unknown compound?

You do not know λ_max. The DAD covers 200–800 nm. Set it wide or narrow? Use bandwidth 4 or 16 nm?

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

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

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

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

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW= (CAS 25322-69-4) use a standard C18 100 Å column.

Source: Phenomenex Guide

4. Detection Settings UV wavelength, bandwidth, response

Detection Gotcha

What to set on the DAD for an unknown compound?

You do not know λ_max. The DAD covers 200–800 nm. Set it wide or narrow? Use bandwidth 4 or 16 nm?

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

Fast method dla release testing

CEO: „23 minutes is too long, 100 batches/day". You need a 5-min method keeping Rs ≥ 2.0 for all 6 impurities.

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 — how to establish? +

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla (CAS 25322-69-4) 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

Dissolving the sample — in what?

Standard in an ampoule. Dissolve it in water? ACN? Methanol? The protocol does not say. The wrong solvent → smeared peaks.

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.

Incorrect integration — publication rejected

Kasia M., PhD Analytical Chemistry, UJ 2025-06-03 Poziom 4/5

What happened:

Submission to JPBA. Reviewer 2: „Peak at 12.4 min shows manual integration, but baseline slope suggests co-elution". I had to revalidate the whole method. 3 months of delay.

💡 Lekcja:

Manual integration = a red flag for reviewers. Solve CO-ELUTION in methods dev, not in integration. Optimise the gradient instead of force-fitting the peak.

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.

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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 25322-69-4). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.