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109-86-4 molecular structure
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2-methoxyethan-1-ol

ChemBase ID: 2519
Molecular Formular: C3H8O2
Molecular Mass: 76.09442
Monoisotopic Mass: 76.0524295
SMILES and InChIs

SMILES:
COCCO
Canonical SMILES:
COCCO
InChI:
InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKey:
XNWFRZJHXBZDAG-UHFFFAOYSA-N

Cite this record

CBID:2519 http://www.chembase.cn/molecule-2519.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxyethan-1-ol
IUPAC Traditional name
2-methoxyethanol
Synonyms
2-Methoxyethanol, Spectrophotometric Grade
2-Methoxyethanol, ACS
Methyl-cellosolve
2-Methoxyethanol
Methyl glycol
ETHYLENE GLYCOL MONOMETHYL ETHER
Ethylene glycol monomethyl ether
EGME
Methyl Cellosolve
2-Methoxyethanol
2-Methoxyethanol
2-Methoxyethanol, Methyl-cellosolve
ETHYLENE GLYCOL MONOMETHYL ETHER, ACS GRADE
2-甲氧基乙醇, 光谱级
2-甲氧基乙醇, ACS
乙二醇单甲醚
甲基乙二醇
甲基溶纤剂®
2-甲氧基乙醇
CAS Number
109-86-4
EC Number
203-713-7
MDL Number
MFCD00002867
Beilstein Number
1731074
Merck Index
146038
PubChem SID
24856377
24883515
46505885
24862167
24860240
24851142
24857158
24889150
160965969
PubChem CID
8019
CHEBI ID
46790
CHEMBL
444144
Chemspider ID
7728
DrugBank ID
DB02806
KEGG ID
D05554
Unique Ingredient Identifier
EK1L6XWI56
Wikipedia Title
2-Methoxyethanol

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 15.122039  H Acceptors
H Donor LogD (pH = 5.5) -0.5655526 
LogD (pH = 7.4) -0.5655526  Log P -0.5655526 
Molar Refractivity 19.3048 cm3 Polarizability 7.6015577 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -0.78  LOG S 1.03 
Solubility (Water) 8.12e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
1000 mg/mL at 25 oC [DOW CHEMICAL COMPANY (1981)] expand Show data source
Miscible with water, alcohol, glycerol, ether, acetone, DMF expand Show data source
Apperance
APHA: ≤10 expand Show data source
Liquid expand Show data source
Melting Point
-85 °C expand Show data source
-85 °C(lit.) expand Show data source
-85 °C expand Show data source
-85°C expand Show data source
Boiling Point
124-125 °C expand Show data source
124-125 °C(lit.) expand Show data source
124–125 °C expand Show data source
124-125°C expand Show data source
-85 °C expand Show data source
Flash Point
104 °F expand Show data source
37 °C (DIN 51 755) expand Show data source
40 °C expand Show data source
46°C(115°F) expand Show data source
Auto Ignition Point
310 °C expand Show data source
548 °F expand Show data source
Density
.964 - .966 g/cm3 at 20 °C expand Show data source
0.965 expand Show data source
0.965 g/cm3 expand Show data source
0.965 g/mL at 25 °C(lit.) expand Show data source
0.966-0.968 g/mL at 20 °C expand Show data source
Refractive Index
1.4025 expand Show data source
n20/D 1.4010-1.4030 expand Show data source
n20/D 1.402 expand Show data source
n20/D 1.402(lit.) expand Show data source
n20/D 1.403 expand Show data source
Vapor Pressure
6.17 mmHg ( 20 °C) expand Show data source
8.1 hPa at 20 °C expand Show data source
Vapor Density
2.62 (air = 1) expand Show data source
2.62 (vs air) expand Show data source
Absorption Wavelength
λ: 213 nm Amax: 1.00 expand Show data source
λ: 240 nm Amax: 0.20 expand Show data source
λ: 260 nm Amax: 0.05 expand Show data source
λ: 300-400 nm Amax: 0.01 expand Show data source
Hydrophobicity(logP)
-0.77 [HANSCH,C ET AL. (1995)] expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
KL5775000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
1188 expand Show data source
UN1188 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
2Y expand Show data source
Risk Statements
60-61-10-20/21/22 expand Show data source
60-61-10-20/21/22.1 expand Show data source
R:10-20/21/22-60-61 expand Show data source
Safety Statements
53.1-45 expand Show data source
53-45 expand Show data source
S:16-45-53 expand Show data source
EU Classification
F1 expand Show data source
EU Hazard Identification Number
3B expand Show data source
Emergency Response Guidebook(ERG) Number
127 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
2
3
2
expand Show data source
Explode Limits
24.5 % expand Show data source
GHS Hazard statements
H226-H302-H312-H332-H360FD expand Show data source
H360-H226-H302-H312-H332 expand Show data source
H360-H226-H312-H332-H303 expand Show data source
GHS Precautionary statements
P201-P280-P308 + P313 expand Show data source
P210-P241-P303+P361+P353-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1188 3/PG 3 expand Show data source
Purity
≥99.0% expand Show data source
≥99.0% (GC) expand Show data source
≥99.3% expand Show data source
≥99.5% (GC) expand Show data source
≥99.9% expand Show data source
≥99.9% (GC) expand Show data source
99% expand Show data source
99% min expand Show data source
99.3+% expand Show data source
99.8% expand Show data source
Grade
ACS expand Show data source
ACS reagent expand Show data source
analytical standard expand Show data source
anhydrous expand Show data source
CHROMASOLV® expand Show data source
for amino acid analysis expand Show data source
for HPLC expand Show data source
JIS special grade expand Show data source
puriss. p.a. expand Show data source
purum expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
spectrophotometric grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
in accordance for suitability for amino acid analysis (as solvent for ninhydrin dyeing reagent) expand Show data source
suitable for amino acid analysis expand Show data source
Evaporation Residue
<0.0005% expand Show data source
<0.001% expand Show data source
≤0.003% expand Show data source
Impurities
<0.005% water expand Show data source
<0.020% water expand Show data source
<0.050% water expand Show data source
≤0.0003% peroxides (as H2O2) expand Show data source
≤0.001% acetaldehyde expand Show data source
≤0.001% formaldehyde expand Show data source
≤0.002 meq/g free acid (as CH3COOH) expand Show data source
≤0.002 meq/g Titr. acid expand Show data source
≤0.002% non-volatile matter expand Show data source
≤0.002% peroxides (as H2O2) expand Show data source
≤0.005% free acid (as CH3COOH) expand Show data source
≤0.1% water expand Show data source
≤0.1% water (Karl Fischer) expand Show data source
≤0.100% water expand Show data source
Cation Traces
Al: ≤0.5 mg/kg expand Show data source
B: ≤0.02 mg/kg expand Show data source
Ba: ≤0.1 mg/kg expand Show data source
Ca: ≤0.5 mg/kg expand Show data source
Cd: ≤0.05 mg/kg expand Show data source
Co: ≤0.02 mg/kg expand Show data source
Cr: ≤0.02 mg/kg expand Show data source
Fe: ≤0.4 mg/kg expand Show data source
Mg: ≤0.1 mg/kg expand Show data source
Mn: ≤0.02 mg/kg expand Show data source
Ni: ≤0.02 mg/kg expand Show data source
Pb: ≤0.1 mg/kg expand Show data source
Sn: ≤0.1 mg/kg expand Show data source
Zn: ≤0.1 mg/kg expand Show data source
Contains
~0.0005% 2,6-di-tert-butyl-4-methylphenol as stabilizer expand Show data source
~0.01% 2,6-di-tert-butyl-4-methylphenol as stabilizer expand Show data source
50 ppm BHT as stabilizer expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Purified By
glass distillation expand Show data source
λ
H2O reference expand Show data source
Linear Formula
CH3OCH2CH2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02102314 external link
Suitable solvent for ninhydrin color reagent.
1 ml = approx. 0.96 g
DrugBank - DB02806 external link
Item Information
Drug Groups experimental
External Links
Wikipedia
Sigma Aldrich - 64719 external link
法律信息
Cellosolve 注册商标 Union Carbide
Sigma Aldrich - 156205 external link
法律信息
Cellosolve 注册商标 Union Carbide
Sigma Aldrich - 64730 external link
Other Notes
Sales restrictions may apply
Sigma Aldrich - 33457 external link
法律信息
Cellosolve 注册商标 Union Carbide
Sigma Aldrich - 360503 external link
Packaging
1, 2.5, 4×4 L in glass bottle
20 L in steel drum
500 mL in glass bottle
Sigma Aldrich - 09-1710 external link
法律信息
Cellosolve 注册商标 Union Carbide
Sigma Aldrich - 185469 external link
Packaging
20 L in steel drum
500 mL in glass bottle
4 L in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - 09-1730 external link
法律信息
Cellosolve 注册商标 Union Carbide
Sigma Aldrich - 270482 external link
Packaging
1, 2 L in glass bottle
100 mL in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 09-1720 external link
法律信息
Cellosolve 注册商标 Union Carbide
Sigma Aldrich - 284467 external link
Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™
Sigma Aldrich - 88907 external link
法律信息
Cellosolve 注册商标 Union Carbide

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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