什么是Diethylene glycol dimethyl ether？

Diethylene glycol dimethyl ether (CAS 110-71-4)是一种化学式为 C4H10O2 的化合物，摩尔质量为 90.12 g/mol。化学数据来自 PubChem（美国国立卫生研究院 NIH）。

Diethylene glycol dimethyl ether 的 CAS 编号是什么？

Diethylene glycol dimethyl ether 的 CAS 编号（Chemical Abstracts Service）是 110-71-4。

Diethylene glycol dimethyl ether 的化学式是什么？

Diethylene glycol dimethyl ether 的化学式是 C4H10O2。 IUPAC 名称：1,2-dimethoxyethane。

在哪里购买 Diethylene glycol dimethyl ether（CAS 110-71-4）？

Diethylene glycol dimethyl ether（CAS 110-71-4）可在商店 Eapearl Chemical 购买：https://epchems.online/products/12-dimethoxyethane/。最新的价格和库存信息请见产品页面。

Diethylene glycol dimethyl ether

DME

CAS 110-71-4 EC 203-794-9 C4H10O2 Ether SDS published CLP Danger

📄 下载安全数据表（PDF）

⚠️ Note: This safety data sheet is provided in English; a localized version is being prepared.

MolGod_SDSCARD_1

REACH 2020/878

v2 · 08.09.2026

Specification

Product Name	Diethylene glycol dimethyl ether
Other Names	DME
CAS No.	110-71-4
EINECS No.	203-794-9
MF	C4H10O2
Molecular weight	90.121
Purity	99.0%
Appearance	Colorless liquid
Density	0.837g/cm 3
Melting point	-69 °C
Boiling point	63°C at 760 mmHg
Flashing point	32 °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

Danger

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

H225 Highly flammable liquid and vapour
H360FD May damage fertility. May damage the unborn child
H332 Harmful if inhaled
EUH019 May form explosive peroxides.

Precautionary statements (1)

P203 Obtain, read and follow all safety instructions before use

Full safety data sheet CLP label (EN)

European Chemicals Agency. "1,2-dimethoxyethane; ethylene glycol dimethyl ether; EGDME, Index No. 603-031-00-3." 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.

Substance identity verified against the registry entry on 2026-09-02.

Packaging and shipping

Drum225 kg

IBC Drum1127 kg

ISO tank (20ft)24–26 m³

ISO tank (40ft)48–50 m³

Diethylene glycol dimethyl ether (DME) is the fundamental and core member of the dimethyl ether family. It is renowned for its low boiling point (~85°C), high polarity, excellent solvation ability for alkali metal ions, and outstanding stability towards strongly basic organometallic reagents (such as Grignard reagents, organic lithium). It can significantly reduce the viscosity of the electrolyte, enhance the ionic conductivity, and due to its low boiling point characteristic, is particularly suitable for processes and applications that require rapid drying or operation under low-temperature conditions.

Diethylene glycol dimethyl ether (DME/1,2-dimethoxyethane) is a low-boiling-point non-polar polar solvent, providing applications such as electrolyte, organic synthesis, electronic cleaning

Product Description

Anhui Eapearl Chemical Co., Ltd., as a professional supplier in the field of high-purity specialty solvents in China, relying on advanced production and purification technologies, now offers the market high-purity and high-performance diethylene glycol monomethyl ether (DME). We are committed to transforming this top-notch non-protonic polar solvent, which has low boiling point, high polarity, wide electrochemical window, and excellent chemical stability, into a key material for achieving high-performance and low-temperature breakthroughs in fields such as new energy batteries, high-end organic synthesis, and precision electronic cleaning.

Product Core Positioning

Core solvent for high-performance lithium/sodium battery electrolytes: As a key component of electrolytes for lithium-ion batteries, lithium-metal batteries, and sodium-ion batteries, DME, with its high dielectric constant, low viscosity, and high solubility for lithium/sodium salts, can significantly enhance the ionic conductivity and low-temperature performance of the electrolyte. Its wide electrochemical window supports high-voltage cathode materials and is one of the preferred solvents for developing battery systems with high rate capability, long cycle life, and excellent low-temperature performance.

Preferred solvents for advanced organic synthesis (Grignard/coupling reactions): In Grignard reactions, organic lithium reactions, transition metal-catalyzed coupling reactions (such as Suzuki, Negishi), and various reactions that require a strong polar aprotic environment, DME, due to its high stability and strong solubility of organic metal reagents, can significantly increase reaction rate, yield, and selectivity. It is a star solvent for synthesizing pharmaceutical intermediates, pesticide raw materials, and advanced materials.

Electronic-grade precision cleaning and lithography process: Thanks to its strong dissolving power, low boiling point (quick drying), and low residue characteristics, high-purity DME is widely used in the precision cleaning and removal of photoresist during the manufacturing processes of semiconductor wafers, display panels, and precision optical components. It can quickly evaporate without leaving any traces, meeting the ultimate requirements of the high-end electronic manufacturing industry for efficiency and cleanliness.

Special polymer synthesis (anionic polymerization) medium: As an ideal solvent for anionic active polymerization, DME can effectively control the active centers and precisely regulate the molecular weight and distribution of the polymers. It is widely used in the synthesis of high-performance elastomers and plastics such as styrene-butadiene-styrene block copolymer (SBS) and polystyrene.

Special functional fluid and gas treatment: It can be used to prepare special thermal conductive fluids or hydraulic fluids that require low freezing points and high polarity. It also has certain physical absorption capabilities for some acidic gases.

Anhui Eapearl Chemical Co., Ltd., with high-performance specialty solvents such as diethylene glycol dimethyl ether (DME), has always been committed to empowering scientific innovation and precision manufacturing. We are not only a raw material supplier, but also a reliable partner for your pursuit of superior performance and process breakthroughs. Choosing us means choosing purity, safety and professionalism.

Diethylene glycol dimethyl ether (DME/1,2-dimethoxyethane) is a low-boiling-point non-polar polar solvent, providing applications such as electrolyte, organic synthesis, electronic cleaning

Delivery&Payment method

Diethylene glycol dimethyl ether (DME/1,2-dimethoxyethane) is a low-boiling-point non-polar polar solvent, providing applications such as electrolyte, organic synthesis, electronic cleaning

Frequently asked

In what packaging is Diethylene glycol dimethyl ether 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 Diethylene glycol dimethyl ether?

Yes. A full safety data sheet for CAS 110-71-4 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%. Tighter specifications are confirmed against the production batch before shipment.

Technical reading on Diethylene glycol dimethyl ether

Diglyme: H360FD, peroxides, NMP swaps

Diglyme is a high-boiling aprotic ether with a harmonised H360FD classification and EUH019 peroxide risk — what buyers…

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🧬 3D分子可视化器

数据转录自法规登记册和专业文献，并注明来源与版本。不能替代供应商的安全数据表。未记录来源的字段已作相应标注。

📊 物理化学数据 — CAS 110-71-4MolGod_PROPHUB_MAIN

📊 物理化学性质

快速参考

化学式： C₄H₁₀O₂

分子量： 90.12 g/mol

CAS号： 110-71-4

外观： WATER-WHITE LIQUID

气味： SHARP ETHEREAL ODOR

详细性质

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

属性	值	来源
闪点	0 °C (NTP, 1992)	CAMEO Chemicals ↗
蒸气压	40 mmHg at 10.7 °C ; 60 mmHg at 19.7 °C (NTP, 1992)^[1]	CAMEO Chemicals ↗
折射率（n_D）	INDEX OF REFRACTION: 1.3813 @ 20 °C/D, 1.3739 @ 24 °C/D^[1]^[2]	Hazardous Substances Data Bank (HSDB) ↗

🔬 高级属性

化学标识符

SMILES: COCCOC

InChI: InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3

InChIKey: XTHFKEDIFFGKHM-UHFFFAOYSA-N

数据来源： CAMEO Chemicals, Hazardous Substances Data Bank (HSDB)

最后更新：未确认

📚 科学参考文献（芝加哥作者-日期格式） (2 来源)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 蒸气压 · 折射率（nD）
NLM. Hazardous Substances Data Bank (HSDB). National Library of Medicine. ↗ applies to: 折射率（nD）

属性	值	单位	条件	来源
熔点	-58	°C	1 atm	No primary source
沸点	85 ^[1]^[2]	°C		No primary source
水溶性	bardzo dobrze rozpuszczalna	—	qualitative description (no numerical value)	No primary source
密度 (ρ)	0.86 ^[2]	g/cm³		No primary source
logP (辛醇/水)	-0.2	—		No primary source

化学概述: 1,2-DimethoxyethaneMolGod_OVERVIEW_1

分子式	C₄H₁₀O₂^[1]
分子量	90.12 g/mol^[1]
熔点	-58 °C
沸点	85 °C^[1]^[2]
密度	0.86 g/cm³^[1]
LogP（亲脂性）	-0.2^[1]
IUPAC名称	1,2-dimethoxyethane^[1]
SMILES	`COCCOC`^[1]
InChIKey	`XTHFKEDIFFGKHM-UHFFFAOYSA-N`^[1]

同义词: 1,2-DIMETHOXYETHANE · 110-71-4 · Monoglyme · Ethylene glycol dimethyl ether · Glyme

数据来源： PubChem (NLM/NIH)
最后更新： 2026-09-21

📚 科学参考文献（芝加哥作者-日期格式） (2 来源)

PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗ applies to: 分子式 · 分子量 · 沸点 · 密度 · LogP（亲脂性） · IUPAC名称 · SMILES · InChIKey
NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗ applies to: 沸点

科学研究

[1]Doaj2026

{5,15-Bis[3,5-bis(6′-methyl-2,2′-bipyridyl-6-yl)phenyl]-10,20-diphenylporphyrin}zinc(II) 1,2-dimethoxyethane 0.296-solvate

Aguri Akitomi, Yuta Kato, Yosuke Hosoya et al.. (2026). "{5,15-Bis[3,5-bis(6′-methyl-2,2′-bipyridyl-6-yl)phenyl]-10,20-diphenylporphyrin}zinc(II) 1,2-dimethoxyethane 0.296-solvate". IUCrData. https://

[2]Doaj2026

Crystal structure of (dibenzo-21-crown-7)diiodidosamarium(II) 1,2-dimethoxyethane hemisolvate

Hannah B. Wineinger, Joseph M. Sperling, Thomas E. Albrecht. (2026). "Crystal structure of (dibenzo-21-crown-7)diiodidosamarium(II) 1,2-dimethoxyethane hemisolvate". Acta Crystallographica Section E:

[3]Europe PMC2022

Synthesis, characterization, X-ray and electronic structures of diethyl ether and 1,2-dimethoxyethane adducts of molybdenum(IV) chloride and tungsten(IV) chloride.

et al.. (2022). "Synthesis, characterization, X-ray and electronic structures of diethyl ether and 1,2-dimethoxyethane adducts of molybdenum(IV) chloride and tungsten(IV) chloride.". https://doi.org/1

[4]Europe PMC2021

Electrochemical behavior and electrodeposition of gallium in 1,2-dimethoxyethane-based electrolytes.

et al.. (2021). "Electrochemical behavior and electrodeposition of gallium in 1,2-dimethoxyethane-based electrolytes.". https://doi.org/10.1039/d1cp01074c

[5]Europe PMC2021

Analysis of Cooperativity and Group Additivity in the Hydration of 1,2-Dimethoxyethane.

(2021). "Analysis of Cooperativity and Group Additivity in the Hydration of 1,2-Dimethoxyethane.". https://doi.org/10.1021/acs.jpcb.0c10729

[6]Doaj2019

PHASE BEHAVIOUR CALCULATIONS FOR THE CARBON DIOXIDE + 1,2-DIMETHOXYETHANE BINARY SYSTEM WITH A CUBIC EQUATION OF STATE

Sergiu SIMA, Radu C. RACOVIŢĂ, Aurel CHIRILĂ et al.. (2019). "PHASE BEHAVIOUR CALCULATIONS FOR THE CARBON DIOXIDE + 1,2-DIMETHOXYETHANE BINARY SYSTEM WITH A CUBIC EQUATION OF STATE". Studia Univer

[7]Europe PMC2018

Influence of a Lewis acid and a Brønsted acid on the conversion of microcrystalline cellulose into 5-hydroxymethylfurfural in…

et al.. (2018). "Influence of a Lewis acid and a Brønsted acid on the conversion of microcrystalline cellulose into 5-hydroxymethylfurfural in a single-phase reaction system of water and 1,2-dimethoxy

[8]Europe PMC2014

Why is poly(oxyethylene) soluble in water? Evidence from the thermodynamic profile of the conformational equilibria of 1,2-dimethoxyethane and…

(2014). "Why is poly(oxyethylene) soluble in water? Evidence from the thermodynamic profile of the conformational equilibria of 1,2-dimethoxyethane and dimethoxymethane revealed by Raman spectroscopy.

📚 科学参考文献（芝加哥作者-日期格式） 18 refs · 4 baz

MOLECULE 按CAS号参考文献（实时来自13+数据库）

来源： db:doaj (3) · db:Europe PMC (12) · db:arxiv (1) · db:crossref (2)

db:doaj Aguri Akitomi, Yuta Kato, Yosuke Hosoya et al.. (2026). "{5,15-Bis[3,5-bis(6′-methyl-2,2′-bipyridyl-6-yl)phenyl]-10,20-diphenylporphyrin}zinc(II) 1,2-dimethoxyethane 0.296-solvate". IUCrData. https://doi.org/10.1107/S2414314626002592 →
db:doaj Hannah B. Wineinger, Joseph M. Sperling, Thomas E. Albrecht. (2026). "Crystal structure of (dibenzo-21-crown-7)diiodidosamarium(II) 1,2-dimethoxyethane hemisolvate". Acta Crystallographica Section E: Crystallographic Communications. https://doi.org/10.1107/S2056989026001374 →
db:Europe PMC et al.. (2022). "Synthesis, characterization, X-ray and electronic structures of diethyl ether and 1,2-dimethoxyethane adducts of molybdenum(IV) chloride and tungsten(IV) chloride.". https://doi.org/10.1039/d2dt00787h →
db:Europe PMC et al.. (2021). "Electrochemical behavior and electrodeposition of gallium in 1,2-dimethoxyethane-based electrolytes.". https://doi.org/10.1039/d1cp01074c →
db:Europe PMC (2021). "Analysis of Cooperativity and Group Additivity in the Hydration of 1,2-Dimethoxyethane.". https://doi.org/10.1021/acs.jpcb.0c10729 →
db:doaj Sergiu SIMA, Radu C. RACOVIŢĂ, Aurel CHIRILĂ et al.. (2019). "PHASE BEHAVIOUR CALCULATIONS FOR THE CARBON DIOXIDE + 1,2-DIMETHOXYETHANE BINARY SYSTEM WITH A CUBIC EQUATION OF STATE". Studia Universitatis Babes-Bolyai Chemia. https://doi.org/10.24193/subbchem.2019.3.11 →
db:Europe PMC et al.. (2018). "Influence of a Lewis acid and a Brønsted acid on the conversion of microcrystalline cellulose into 5-hydroxymethylfurfural in a single-phase reaction system of water and 1,2-dimethoxyethane.". https://doi.org/10.1039/c7ra13387a →
db:arxiv J. Gujt, H. Dominguez, S. Sokolowski et al.. (2017). "Isobaric-isothermal molecular dynamics computer simulations of the properties of water-1,2-dimethoxyethane model mixtures". arXiv (1710.01204v1). https://doi.org/10.5488/cmp.20.33603 →
db:Europe PMC (2014). "Why is poly(oxyethylene) soluble in water? Evidence from the thermodynamic profile of the conformational equilibria of 1,2-dimethoxyethane and dimethoxymethane revealed by Raman spectroscopy.". https://doi.org/10.1021/jp5048997 →
db:Europe PMC (2014). "A rare tetranuclear thorium(IV) μ4 -oxo cluster and dinuclear thorium(IV) complex assembled by carbon-oxygen bond activation of 1,2-dimethoxyethane (DME).". https://doi.org/10.1002/chem.201404551 →
db:Europe PMC (2012). "Bis(1,2-dimethoxyethane)-1κ(2)O,O';3κ(2)O,O'-tetra-kis-(μ-1,1,1,3,3,3-hexa-fluoro-2-methyl-propan-2-olato)-1:2κ(4)O:O;2:3κ(4)O:O-1,3-dilithium-2-magnesium.". https://doi.org/10.1107/s1600536812032679 →
db:Europe PMC (2011). "Efficient synthesis of octyl-β-d-galactopyranoside by Bacillus spore-displayed β-galactosidase using an amphiphilic 1,2-dimethoxyethane co-solvent.". https://doi.org/10.1016/j.enzmictec.2010.11.002 →
db:Europe PMC et al.. (2009). "Lithium phenolates solvated by tetrahydrofuran and 1,2-dimethoxyethane: structure determination using the method of continuous variation.". https://doi.org/10.1021/ja9047784 →
db:Europe PMC (2008). "Solvation effect on conformations of 1,2:dimethoxyethane: charge-dependent nonlinear response in implicit solvent models.". https://doi.org/10.1063/1.2815764 →
db:Europe PMC (2007). "Analogy of the coordination chemistry of alkaline earth metal and lanthanide Ln(2+) ions: the isostructural zoo of mixed metal cages [IM(OtBu)4{Li(thf)}4(OH)] (M=Ca, Sr, Ba, Eu), [MM'6(OPh)8(thf)6] (M=Ca, Sr, Ba, Sm, Eu, M'=Li, Na), and their derivatives with 1,2-dimethoxyethane.". https://doi.org/10.1002/chem.200700597 →
db:Europe PMC (1996). "Synthesis of Tris(1,2-dimethoxyethane-O,O')barium Bis(2,2,5,5-tetramethyl-2,5-disilaphospholanide) and the Monomer-Dimer Equilibrium in Toluene Solution.". https://doi.org/10.1021/ic950854y →
db:crossref M. Yoshio, H. Nakamura, M. Hyakutake et al.. (1993). "Conductivities of 1,2-dimethoxyethane or 1,2-dimethoxyethane-related solutions of lithium salts". Journal of Power Sources. https://doi.org/10.1016/0378-7753(93)85006-a →
db:crossref G.W.A. Fowles, T.E. Lester, J.S. Wood. (1969). "The crystal and molecular structure of dibromo-bis(1,2 dimethoxyethane) titanium(III), tetrabromo(1,2-dimethoxyethane) titanate(III)". Journal of Inorganic and Nuclear Chemistry. https://doi.org/10.1016/0022-1902(69)80010-2 →

物质监管状态

该物质受监管要求约束：危险废物管理（BDO登记册）. 详细信息请参见“法规状态（REACH/ECHA/CLP）”章节及安全数据表。 监管信息——不限制在本店购买。

🧮 化学计量计算器MolGod_STOICH_1

🧪 化学数据MolGod_CHEMDATA_1

CAS号: 110-71-4
分子式: C4H10O2
摩尔质量: 90.12 g/mol
IUPAC名称 (EN): 1,2-dimethoxyethane
SMILES: COCCOC
InChIKey: XTHFKEDIFFGKHM-UHFFFAOYSA-N

📚 Literatura naukowa (16 产品)MolGod_LITSCI_1

🔓

Lithium phenolates solvated by tetrahydrofuran and 1,2-dimethoxyethane: structure determination using the method of continuous variation. 26 citations

et al. · (2009)

DOI ↗PubMed ↗PDF ↗

🔓

Influence of a Lewis acid and a Brønsted acid on the conversion of microcrystalline cellulose into 5-hydroxymethylfurfural in a single-phase reaction system of water and 1,2-dimethoxyethane. 16 citations

et al. · (2018)

DOI ↗PubMed ↗PDF ↗

🔓

Electrochemical behavior and electrodeposition of gallium in 1,2-dimethoxyethane-based electrolytes. 3 citations

et al. · (2021)

DOI ↗PubMed ↗PDF ↗

🔒

Efficient synthesis of octyl-β-d-galactopyranoside by Bacillus spore-displayed β-galactosidase using an amphiphilic 1,2-dimethoxyethane co-solvent. 6 citations

(2011)

DOI ↗PubMed ↗

🔓

Bis(1,2-dimethoxyethane)-1κ(2)O,O';3κ(2)O,O'-tetra-kis-(μ-1,1,1,3,3,3-hexa-fluoro-2-methyl-propan-2-olato)-1:2κ(4)O:O;2:3κ(4)O:O-1,3-dilithium-2-magnesium. 2 citations

(2012)

DOI ↗PubMed ↗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: 84.9
Temp. topnienia: -69.2
Density: 0.865

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

🔍 外部标识符MolGod_EXTID_1

13 / 16个ID系统81%

数据库	标识符	操作
CAS Registry Number	110-71-4	打开 →
PubChem CID	8071^[1]	打开 →
InChIKey	XTHFKEDIFFGKHM-UHFFFAOYSA-N^[1]	打开 →
InChI	InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3^[1]
SMILES	COCCOC^[1]
EC Number	203-794-9^[2]	打开 →
ChEMBL	CHEMBL1232411^[3]	打开 →
DrugBank	DB01749	打开 →
HMDB	HMDB0244080	打开 →
ChemSpider	13836589^[4]	打开 →
UNII (FDA)	GXS24JF5IW	打开 →
NSC Number (NCI)	60542	打开 →
WikiData QID	Q416271	打开 →

来源：PubChem (NIH)、Wikidata SPARQL、KEGG、ChEMBL (EBI)、CompTox CTX (EPA)。

📚 科学参考文献（芝加哥作者-日期格式） (4 来源)

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

📡 光谱学 — CAS 110-71-4MolGod_SPECHUB_MAIN

📊 光谱（NMR、IR、MS、UV-Vis） (1)

可用光谱类型： IR

红外光谱 (KBr, 4000-400 cm⁻¹)

413个数据点 · 来源： NIST WebBook · NIST ↗ · 📥 JCAMP-DX

🎓 谱图解析指南（供学生使用）

如何解读IR光谱

3200-3600 cm⁻¹ — O-H 伸缩 (宽峰 = 氢键)
2850-3000 cm⁻¹ — C-H 伸缩 (sp³)
1650-1750 cm⁻¹ — C=O 伸缩 (酮、醛、酯)
1400-1600 cm⁻¹ — 芳香环振动
1000-1300 cm⁻¹ — C-O 伸缩 (醚、醇)
无吸收=无官能团→与参考谱图比较

来源： LibreTexts ↗, Silverstein (Spectrometric ID) ↗

📚 科学参考文献（芝加哥作者-日期格式） (7 来源)

National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. ↗
McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗

结构性质MolGod_STRUCT3D_1

正在加载结构数据...

❓ 常见问题 (3)MolGod_FAQ_1

What is 110-71-4?

110-71-4 (CAS 110-71-4) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).

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What is the CAS number of 110-71-4?

The CAS number for 110-71-4 is 110-71-4. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.

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How should 110-71-4 be stored?

110-71-4 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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➕ 建议问题

下载结构文件MolGod_STRDL_1

来自PubChem数据库（NIH）的分子结构文件。兼容Avogadro、PyMOL、Jmol和ChemDraw等程序。

📄 .SDF 📄 .MOL 📈 3D JSON 🌐 更多格式（PubChem）

来源：PubChem，美国国家医学图书馆（NIH）。 CID: 8071

🔄 浓度单位转换器实时 MolGod_UNITCONV_1

输入1,2-Dimethoxyethane浓度（任意单位），其余将自动计算。

分子量： 90.12 g/mol · IUPAC Gold Book ↗

⚗️ 转换公式及引用（每个公式）

转换	分子式	准确度	来源
% (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)

📚 参考文献（8个权威来源）

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

相似分子结构MolGod_SIMSTR_1

正在加载相似结构...

🧪 溶液制备向导 WIZARD MolGod_PREP_1

① 选择浓度

② 目标体积

③ 溶剂

计算依据： IUPAC Gold Book ↗, Merck ↗

计算化学MolGod_COMPCHEM_1

正在加载计算数据...

🛡️ 安全 — CAS 110-71-4MolGod_SAFEHUB_MAIN

数据限制说明。 本页安全信息仅供参考，不能替代完整的安全数据表（SDS）。使用产品前，请查阅制造商当前的安全数据表以及GHS/CLP指南。CLP分类适用于纯散装物质，不适用于商业制剂。

GHS/CLP分类——(EC) No 1272/2008法规 + UN GHS Rev. 9 (2021)。

⚠️ 危险 (Danger)

GHS02 易燃

GHS07 刺激性/有害

GHS08 健康危害

🚨 危险说明（H）

H225 — 高度易燃液体和蒸气
H360FD — May damage fertility. May damage the unborn child
H332 — 吸入有害
EUH019

🛡 防范说明（P）

P203 — 使用前取得、阅读并遵循所有安全说明书。

✓ 根据CLP法规(EC) 1272/2008附件VI的统一分类（官方、具有约束力的分类）。索引号：603-031-00-3。

参考文献（芝加哥格式）： European Chemicals Agency. "1,2-dimethoxyethane; ethylene glycol dimethyl ether; EGDME, Index No. 603-031-00-3." 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.

翻译：CLP 法规 (EC) 1272/2008，附件 III 和 IV。数据：PubChem/NLM。

📋 法规合规检查表易燃 3 要求 7 项目

ℹ️ 法规义务检查表 针对CAS号 110-71-4. 状态基于：ADR 2025（表 A）、REACH 附件 XVII、CLP 附件 VI（协调分类）、来自 m14-spill DB 的 hazard class、SVHC、GIS 以及 NDS PL。原则：无数据 = 无主张（我们不会在没有依据的情况下声明“无限制”）。

▣ 安全数据表（SDS）可用 要求

如何确保合规： 要求：符合法规1907/2006（REACH）附件II的现行安全数据表，16节格式。

法律依据： Regulation (EC) 1907/2006 (REACH) Art. 31 + Annex II
📎 来源/表格 ↗
▣ 符合CLP的标签（GHS象形图 + 信号词 + 危险说明/防范说明） 要求

如何确保合规： 标签必须包含：GHS象形图、信号词（危险/警告）、危险说明（H）和防范说明（P）、制造商信息。自2010年（物质）和2015年（混合物）起要求。该物质适用协调分类（CLP附件VI）——见下文；优先于自行分类。

法律依据： Regulation (EC) 1272/2008 (CLP) Art. 17-33 + Annex VI (harmonised classification)

统一分类（CLP附件VI）： Flam. Liq. 2, Repr. 1B, Acute Tox. 4 * — H225, H360FD, H332, EUH019 · Index 603-031-00-3
📎 来源/表格 ↗
❓ ADR运输（国际协议） 待核实

如何确保合规： MOL-GOD数据集中无此CAS号的ADR数据。不要假定无限制——发货前，请核实ADR 2025（表A）及安全数据表第14节中的运输分类。

法律依据： European Agreement ADR 2025 + Act of 19 August 2011 on the transport of dangerous goods
📎 来源/表格 ↗
🔵 REACH注册（>1吨/年欧盟进口） 有条件

如何确保合规： 进口商/生产商≥1吨/年必须向ECHA注册该物质（技术档案 + 若≥10吨需化学品安全报告）。查阅ECHA附件VI/已注册物质清单。

法律依据： Regulation (EC) 1907/2006 (REACH) Art. 5-22
📎 来源/表格 ↗
❓ SVHC通报（高度关注物质） 待核实

如何确保合规： SVHC状态未在可用数据集中验证 — 请检查当前ECHA候选清单；不要假定无条目。

法律依据： REACH Art. 7(2) + 33 — SVHC notification + communication
📎 来源/表格 ↗
❓ REACH 附件 XIV（授权清单） 待核实

如何确保合规： 未对照 ECHA 授权清单进行核实 — 请查阅 REACH 附件 XIV。

法律依据： Regulation (EC) 1907/2006 (REACH) Annex XIV — authorisation
📎 来源/表格 ↗
▣ REACH 附件 XVII（使用/上市限制） 要求

如何确保合规： 受 REACH 附件 XVII 限制的物质（第 28–30 项）：CMR category 1A/1B — not for supply to the general public (professional users only). 请查看投放市场/使用的条件以及 SDS 第 15 节中的说明。

法律依据： Regulation (EC) 1907/2006 (REACH) Annex XVII — restrictions on manufacture/placing on the market/use

⚠️ REACH附件XVII（条目28–30）： CMR category 1A/1B — not for supply to the general public (professional users only).
📎 来源/表格 ↗

📚 科学参考文献（芝加哥作者-日期格式）

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 ↗] — 物质和混合物的分类、标签和包装（欧盟GHS实施）
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 — 化学品的注册、评估和授权；SVHC；安全数据表附件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 ↗] — 约600种化学物质的NDS和NDSCh——现行波兰职业接触限值
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 ↗] — 危险货物道路运输国际协议 — UN编号、类别、包装

📚 综合科学参考文献 — Chicago Author-Date 10 来源

从所有Safety Hub选项卡收集的参考文献。CAS号： 110-71-4 · 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，法规
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

具有自身参考文献的选项卡（紧急情况、个人防护装备、储存、废物）在其各自章节中包含额外的书目条目。

📈 分析统计（t检验·RSD·Grubbs·Q-Dixon） ICH Q2

粘贴一系列重复测量结果（CSV或每行一个数字）。计算器将计算平均值、标准差和95%置信区间，并检测异常值（Grubbs + Dixon Q）。

测量结果：

分隔符：逗号、空格、制表符、换行。至少3个测量值。

📐 统计公式

x̄ = Σxᵢ / n — 算术平均值
s² = Σ(xᵢ - x̄)² / (n-1) — 样本方差
s = √s² — 标准差
RSD% = (s / x̄) × 100% — 相对标准差
CI₉₅ = x̄ ± t(0.05, n-1) × s / √n — Student's t
G = |xᵢ - x̄| / s — Grubbs检验
Q = |xsuspect - xnearest| / |xmax - xmin| — Dixon Q-test

来源：ICH Q2(R2) 分析方法验证 · ICH PDF ↗

🧪 缓冲液配方计算器 唯一

从 20 种常用缓冲体系列表中选择 → 输入目标 pH → 获得精确配方，包括称量质量。

步骤 1：选择缓冲体系

📜 配方历史记录（最近 10 条）

药物状态

Prekliniczny

I期

II期

III期

已批准

临床前——无人体研究数据。

ChEMBL CHEMBL1232411 ↗

📅 项目规划器——实验室实验管理器 新品

规划您的整个实验室项目：添加实验（含试剂、重复次数和持续时间）。您将获得甘特图、购物清单（含商店链接！）、预算（含10%余量）和GHS风险矩阵。

🧪 溶解性和溶剂兼容性 MolGod_SOLUB_1

分子

1,2-Dimethoxyethane

分子式

C4H10O2

logP (XLogP3)

-0.20

摩尔质量（g/mol）

90.12

极性

亲水性（极性）

⚠️ GC估算（Hoftyzer-Van Krevelen）。该CAS无文献HSP数据——精度±2 MPa½。请实验验证。

Ra < R₀ = good miscibility · Ra < 1,5×R₀ = borderline · above = poor (R₀ — radius of the Hansen sphere of this molecule) For this molecule R₀ = 8..

溶剂	兼容性	Ra	可视化	GC-MS	HPLC	应用	参考文献
Water (H₂O)	miscible	—		✗ Nie	A (aqueous) (RP)	buffercell cultureanalyticalextraction (hydrophilic)	Hansen (2007) ↗NIST ↗CRC ↗IAPWS ↗Reichardt 2011 ↗GESTIS ↗
Ethanol (EtOH)	—	—	brak podstawy	✗ Nie	A/B modifier (RP/NP)	extractionspectroscopy (UV-Vis)synthesisHPLC modifier	Hansen (2007) ↗NIST ↗CRC ↗Snyder & Kirkland ↗Smallwood ↗GESTIS ↗
Methanol (MeOH)	—	—	brak podstawy	✗ Nie	A/B (RP) (RP)	HPLC (eluent)LC-MSKarl FischerUV-transparent to 205 nm	Snyder & Kirkland ↗NIST ↗CRC ↗Snyder & Kirkland ↗GESTIS ↗
Acetone	—	—	brak podstawy	✗ Nie	B modifier (NP)	GC headspacecrystallisationdegreasingsynthesis	Reichardt (2011) ↗NIST ↗CRC ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
Acetonitrile (ACN)	—	—	brak podstawy	✗ 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	—	—	brak podstawy	✗ Nie	N/A (N/A)	NMR (d6-DMSO)cell biology (cryopreservation)drug deliverysynthesis	Wypych, G. ↗NIST ↗Wypych 2019 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
THF	—	—	brak podstawy	✗ Nie	B (NP) (NP)	GPC/SEC (polymer analysis)Grignard synthesisorganometallics	Armarego (2009) ↗NIST ↗Armarego 2009 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗
DCM (CH₂Cl₂)	—	—	brak podstawy	✓ Tak	B (NP) (NP)	extractionNP-HPLCGC-MScrystallisation (anti-solvent)	NIST WebBook ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Reichardt 2011 ↗GESTIS ↗
Chloroform (CHCl₃)	—	—	brak podstawy	✓ 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	—	—	brak podstawy	✓ Tak	A (NP) (NP)	NP-HPLCoil extraction (lipids)GC-MSTLC (NP)	Dass, C. (2011) ↗NIST ↗ATSDR n-Hexane ↗Hansen 2007 ↗Snyder & Kirkland ↗GESTIS ↗
Toluene	—	—	brak podstawy	✓ Tak	B (NP) (NP)	NMR (d8-toluene)synthesisazeotropic drying (Dean-Stark)	GESTIS DGUV ↗NIST ↗IARC 71 ↗Hansen 2007 ↗Smallwood ↗GESTIS ↗

来源： PubChem (NIH) · Hansen Solubility Database

📚 溶剂科学参考文献（芝加哥作者-日期格式）——点击展开

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

溶解性理论（应用于相容性预测）：

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三元组（dD, dP, dH）+ Ra公式。
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 — 250+溶剂的完整表格数据集（ε、μ、供体数、受体数）。
PubChem Compound Database — CAS 110-71-4 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.

完整参考文献位于页面底部的参考文献折叠面板——芝加哥格式手册第17版作者-日期格式。

⚗️ 检查反应兼容性 MolGod_RXNCOMP_1

健康： 2/4

易燃性： 3/4

反应性： 0/4

根据NFPA 704 / 由H代码计算

检查1,2-Dimethoxyethane是否与另一种试剂兼容

📦 储存兼容性矩阵

	酸类	碱	氧化剂	易燃	毒性	Gazy
酸类	✓	✗	✗	✗	⚠	✗
碱	✗	✓	⚠	⚠	⚠	⚠
氧化剂	✗	⚠	✓	✗	⚠	✗
易燃	✗	⚠	✗	✓	⚠	✗
毒性	⚠	⚠	⚠	⚠	✓	⚠
Gazy	✗	⚠	✗	✗	⚠	✓

✓ 可一起储存 · ⚠ 谨慎 · ✗ 禁止一起储存 · OSHA Chemical Segregation ↗

兼容性数据来源： Bretherick's Handbook (7th ed.) ↗, GESTIS ↗, ECHA REACH ↗, NFPA 704 ↗

🧮 实验室计算器（8个） MolGod_LABCALC_1

ppm→mg/L

温度 C↔F↔K

已验证的配方： IUPAC Gold Book ↗, DOI ↗

📊 光谱数据库 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 ↗

📋 实验室方案生成器 MolGod_PROTOCOL_1

目标浓度

体积（mL）

姓名首字母

方案基于以下内容生成： GHS SDS, Aldrich Lab Guide ↗

🏷️ 标签生成器（QR码） MolGod_LABEL_1

浓度

制备日期

姓名首字母

Deskryptory Lipinskiego (struktura)

正在加载ADMET预测…

🧪 溶液配制助手（Smart Prep） MolGod_PREP_2

输入您要制备的内容——我将生成SOP

示例如下——点击插入：

预设配方：

📚 科学文献概览 — CAS 110-71-4MolGod_LITHUB_MAIN

⭐ 关键发现（科学文献） 19 出版物

🏆 CAS 110-71-4 — multi-criteria ranking (W12): 30%引用·20%近期性·20%主题·15%历史·15%开放获取.

#1

Lithium phenolates solvated by tetrahydrofuran and 1,2-dimethoxyethane: structure determination using the method of continuous variation.

et al. (2009) · Journal of the American Chemical Society

重要性： Open access

SCORE 9.74 分析 Citations: 26 Open Access DOI ↗ PubMed ↗
#2

Influence of a Lewis acid and a Brønsted acid on the conversion of microcrystalline cellulose into 5-hydroxymethylfurfural in a single-phase reaction system of water and 1,2-dimethoxyethane.

et al. (2018) · RSC Advances

重要性： Open access

SCORE 9.14 机制 Citations: 16 Open Access DOI ↗ PubMed ↗
#3

Electrochemical behavior and electrodeposition of gallium in 1,2-dimethoxyethane-based electrolytes.

et al. (2021) · Physical Chemistry Chemical Physics

重要性： Open access

SCORE 8.96 机制 Citations: 3 Open Access DOI ↗ PubMed ↗
#4

Crystal structure of (dibenzo-21-crown-7)diiodidosamarium(II) 1,2-dimethoxyethane hemisolvate

Hannah B. Wineinger, Joseph M. Sperling, Thomas E. Albrecht (2026) · Acta Crystallographica Section E: Crystallographic Communications

重要性： 近期（2026） · open access

SCORE 7.85 机制 Open Access DOI ↗
#5

Synthesis, characterization, X-ray and electronic structures of diethyl ether and 1,2-dimethoxyethane adducts of molybdenum(IV) chloride and tungsten(IV) chloride.

et al. (2022) · Dalton Transactions

重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。

SCORE 7.3 机制 Citations: 4 DOI ↗ PubMed ↗
#6

A rare tetranuclear thorium(IV) μ4 -oxo cluster and dinuclear thorium(IV) complex assembled by carbon-oxygen bond activation of 1,2-dimethoxyethane (DME).

Nicholas E. Travia; Brian L. Scott; Jaqueline L. Kiplinger (2014) · Chemistry – A European Journal

重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。

SCORE 7.04 机制 Citations: 13 DOI ↗ PubMed ↗
#7

Solvation effect on conformations of 1,2:dimethoxyethane: charge-dependent nonlinear response in implicit solvent models.

Abhishek K. Jha; Karl F. Freed (2008) · The Journal of Chemical Physics

重要性： Open access

SCORE 6.81 机制 Citations: 32 Open Access DOI ↗ PubMed ↗
#8

{5,15-Bis[3,5-bis(6′-methyl-2,2′-bipyridyl-6-yl)phenyl]-10,20-diphenylporphyrin}zinc(II) 1,2-dimethoxyethane 0.296-solvate

Aguri Akitomi, Yuta Kato, Yosuke Hosoya et al. (2026) · IUCrData

重要性： 近期（2026） · open access

SCORE 6.25 机制 Open Access DOI ↗
#9

PHASE BEHAVIOUR CALCULATIONS FOR THE CARBON DIOXIDE + 1,2-DIMETHOXYETHANE BINARY SYSTEM WITH A CUBIC EQUATION OF STATE

Sergiu SIMA, Radu C. RACOVIŢĂ, Aurel CHIRILĂ et al. (2019) · Studia Universitatis Babes-Bolyai Chemia

重要性： Open access

SCORE 5.85 机制 Citations: 1 Open Access DOI ↗
#10

Why is poly(oxyethylene) soluble in water? Evidence from the thermodynamic profile of the conformational equilibria of 1,2-dimethoxyethane and dimethoxymethane revealed by Raman spectroscopy.

Ryoichi Wada; Kazushi Fujimoto; Minoru Kato (2014) · The Journal of Physical Chemistry B

重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。

SCORE 5.69 分析 Citations: 16 DOI ↗ PubMed ↗
#11

Analogy of the coordination chemistry of alkaline earth metal and lanthanide Ln(2+) ions: the isostructural zoo of mixed metal cages [IM(OtBu)4{Li(thf)}4(OH)] (M=Ca, Sr, Ba, Eu), [MM'6(OPh)8(thf)6] (M=Ca, Sr, Ba, Sm, Eu, M'=Li, Na), and their derivatives with 1,2-dimethoxyethane.

William Maudez; Markus Meuwly; Katharina M. Fromm (2007) · Chemistry – A European Journal

重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。

SCORE 5.13 机制 Citations: 14 DOI ↗ PubMed ↗
#12

Analysis of Cooperativity and Group Additivity in the Hydration of 1,2-Dimethoxyethane.

Sowmi Utiramerur; Michael Paulaitis (2021) · The Journal of Physical Chemistry B

重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。

SCORE 5.11 机制 Citations: 3 DOI ↗ PubMed ↗
#13

Bis(1,2-dimethoxyethane)-1κ(2)O,O';3κ(2)O,O'-tetra-kis-(μ-1,1,1,3,3,3-hexa-fluoro-2-methyl-propan-2-olato)-1:2κ(4)O:O;2:3κ(4)O:O-1,3-dilithium-2-magnesium.

Klaus Wurst; Michael R. Buchmeiser (2012) · Acta Crystallographica Section E Structure Reports Online

重要性： Open access

SCORE 5.08 机制 Citations: 2 Open Access DOI ↗ PubMed ↗
#14

The crystal and molecular structure of dibromo-bis(1,2 dimethoxyethane) titanium(III), tetrabromo(1,2-dimethoxyethane) titanate(III)

G.W.A. Fowles, T.E. Lester, J.S. Wood (1969) · Journal of Inorganic and Nuclear Chemistry

重要性： 历史论文（1969）

SCORE 4.94 历史 Citations: 12 DOI ↗
#15

Isobaric-isothermal molecular dynamics computer simulations of the properties of water-1,2-dimethoxyethane model mixtures

J. Gujt, H. Dominguez, S. Sokolowski et al. (2017) · arXiv (1710.01204v1)

重要性： Open access

SCORE 4.35 机制 Open Access DOI ↗
#16

Synthesis of Tris(1,2-dimethoxyethane-O,O')barium Bis(2,2,5,5-tetramethyl-2,5-disilaphospholanide) and the Monomer-Dimer Equilibrium in Toluene Solution.

M. Westerhausen; M. Hartmann; W. Schwarz (1996) · Inorganic Chemistry

重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。

SCORE 3.8 机制 Citations: 9 DOI ↗ PubMed ↗
#17

Efficient synthesis of octyl-β-d-galactopyranoside by Bacillus spore-displayed β-galactosidase using an amphiphilic 1,2-dimethoxyethane co-solvent.

Jungdon Bae; Eun Hwa Choi; Jae-Gu Pan (2011) · Enzyme and Microbial Technology

重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。

SCORE 3.64 机制 Citations: 6 DOI ↗ PubMed ↗
#18

Conductivities of 1,2-dimethoxyethane or 1,2-dimethoxyethane-related solutions of lithium salts

M. Yoshio, H. Nakamura, M. Hyakutake et al. (1993) · Journal of Power Sources

重要性： 通过多标准评分选择（引用+近期性+主题+历史+开放获取）。

SCORE 3.44 机制 Citations: 13 DOI ↗
#19

Skin absorption in vitro of glycol ethers.

Larese Filon F; Fiorito A; Adami G et al. (1999) · International archives of occupational and environmental health

重要性： 必引文献（经典）

SCORE 0 药理学 MUST-CITE DOI ↗

Tag	TF	DF	IDF	Score
-dimethoxyethane	26	18	1.1	28.602
metal	6	2	2.946	17.675
water	7	4	2.435	17.046
model	6	3	2.658	15.949
lithium	7	5	2.253	15.769
chloride	5	2	2.946	14.73
dimethoxyethane	6	4	2.435	14.611
synthesis	6	5	2.253	13.517
-bis	4	2	2.946	11.784
title compound	3	3	2.658	11.165

🔬 HPLC — 方法与参数 — CAS 110-71-4MolGod_HPLCHUB_MAIN

📈 HPLC梯度——优化器（LSS）模板

基于PubChem XLogP3 + LSS（Snyder等人，2010，第9章）的梯度。

色谱柱: C18
缓冲液: phosphate
流速: 1 mL/min
logP: -0.2 (PubChem XLogP3)
斜率: 5% → 95% B, 10 min
总分析时间: 23 min

t (min)	%A	%B	flow (mL/min)	备注
0	95	5	1	开始（平衡）
2	95	5	1	初始保持结束
12	5	95	1	LSS 梯度结束
17	5	95	1	色谱柱清洗
18	95	5	1	返回初始条件
23	95	5	1	再平衡

📚 科学参考文献（芝加哥作者-日期格式）

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/110-71-4

📐 色谱柱尺寸 — van Deemter 计算器 N=12,466

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

尺寸	150 × 4.6 mm, 5 µm
理论塔板数 (N)	12,466
u_opt 时的 N	12,500
HETP（理论塔板高度，当前）	12.032 µm
最小 HETP	12 µm
线速度 (u)	0.1003 cm/s
u_opt (van Deemter)	0.12 cm/s
背压 (ΔP)	42.1 bar
分析时间（死体积）	2.49 min

📚 科学参考文献（芝加哥作者-日期格式）

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/110-71-4

🧪 流动相——相容性矩阵互溶

组分	名称	UV截止波长（nm）	P'	检测器
溶剂	Acetonitrile (MeCN)	190	5.8	UV, MS, ELSD, RID, FLD
溶剂	Water	190	10.2	UV, MS, ELSD, RID, FLD
缓冲液	Phosphate (KH2PO4 / K2HPO4)	195	pH 2.0-3.0 / 6.5-8.0 / 11.0-12.5	MS ✗

检测器: UV — 与两种溶剂均兼容.

📚 科学参考文献（芝加哥作者-日期格式）

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=...

完整HPLC方法指南同行评审

分子特定场景、故障排除和文献参考

Molecular Predictor

Predicted parameters for this molecule (CAS 110-71-4) are based on literature-backed models (Snyder-Dolan LSS, Neue pore-size rules).

Retention Time

0.7 min

Range: 0.5 – 0.91

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

= 5.548 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. 流动相选择溶剂、纯度、购物清单

化学家的真实问题

Why am I not seeing any peaks?

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.

我们的解决方案

Exact Solvent List

Name + CAS + Grade + Role in method

Grade Explanations

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

Consumption Calculator

样品数量：

Flow Rate (mL/min):

Runtime (min):

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

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交互式计算器

样品数量：

Flow Rate (mL/min):

Runtime (min):

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

Deep Education

理解流动相化学

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: —

常见问题

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

Dla 1,2-dimethoxyethane (logP=-0.2) — ACN czy MeOH? +

Dla logP=-0.2 rekomendacja zależy: jeśli logP<2 (polarny) → MeOH retencja wystarczy; logP≥2 (niepolarny) → ACN daje lepszy peak shape. Dla tej molekuły (MW=90.12, CAS 110-71-4) 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

2. 梯度优化 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.

常见问题

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

Heurystyka Snyder: Rt ≈ 2.5·logP + 1.2 min. Dla 1,2-dimethoxyethane (logP=-0.2) → szacunkowe Rt=0.70 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. 色谱柱选择 C18, particle size, dimensions

Column Choice Dilemma

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.

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

常见问题

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=90.12 — jaka porozumienie kolumny (pore size)? +

Rule of thumb: analytes MW10000 (proteins) → pore 1000 Å. For MW=90.12 (CAS 110-71-4) use a standard C18 100 Å column.

Source: Phenomenex Guide

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

4. 检测设置 UV wavelength, bandwidth, response

Detection Gotcha

First method — how do you know where to start?

Widzisz HPLC z 5 tabletkami na ekranie: Method · Sequence · Sample · Diagnosis · Service. Klikasz Method — "No method loaded". Co teraz?

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. 方法验证 SST, precision, accuracy, robustness

Validation Reality Check

DAD drift podczas 16h sequence

Baseline drift 15 mAU/h. 150 injections in the sequence, with a 7% bias for the peaks towards the end. How to eliminate it?

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

常见问题

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

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

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

Dla API (active pharmaceutical ingredient) typowo 98-102% label claim. Dla 1,2-dimethoxyethane (CAS 110-71-4) 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

6. 样品制备 Dilution, filtration, storage

Prep Mistakes That Ruined The Run

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?

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. 下载和资源 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

事后分析 — 真实失败案例经验教训

真实化学家的失误 — 发生了什么、什么有帮助、要避免什么。

Why am I not seeing any peaks?

Student MSc, UW 2024-10 Poziom 2/5

发生了什么：

You injected the sample, you wait 23 min and... a flat line. Anxiety is rising.

💡 Lekcja:

Wavelength 254 nm does not work for most carboxylic acids — use 210 nm.

Method transfer from Warsaw to Krakow failed

R&D team, 2 sites 2025-09-18 Poziom 5/5

发生了什么：

At first we ran it in the Warsaw lab. Transfer to Kraków: every Rt shifted +0.8 min, Rs borderline at 1.9-2.1. Investigation: buffers from different manufacturers (Merck vs Sigma-Aldrich) differed by 0.2 in pH. 6 weeks of transfer revalidation.

💡 Lekcja:

Transfer requires a SPEC for the buffer (manufacturer, grade, LOT). Not just „NH4HCO3 10 mM pH 7.0". Run a preliminary system suitability on the new instrument before the full transfer.

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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 110-71-4). For data on the current molecule see the "Chemical data", "GHS", "Toxicology" accordions above.