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107-31-3 molecular structure
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methyl formate

ChemBase ID: 105024
Molecular Formular: C2H4O2
Molecular Mass: 60.05196
Monoisotopic Mass: 60.02112937
SMILES and InChIs

SMILES:
COC=O
Canonical SMILES:
COC=O
InChI:
InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
InChIKey:
TZIHFWKZFHZASV-UHFFFAOYSA-N

Cite this record

CBID:105024 http://www.chembase.cn/molecule-105024.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl formate
IUPAC Traditional name
methyl formate
Synonyms
Formic acid methyl ester
Methyl formate
Methyl formate
FORMIC ACID METHYL ESTER
R-611
Methyl formate
蚁酸甲酯
甲酸甲酯
CAS Number
107-31-3
EC Number
203-481-7
MDL Number
MFCD00003291
Beilstein Number
1734623
Merck Index
146077
PubChem SID
24857508
24896937
162093103
24902082
24855430
24845930
PubChem CID
7865
CHEMBL
295026
Chemspider ID
7577
Wikipedia Title
Methyl_formate
Flavis Number
9.642

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.12615037  LogD (pH = 7.4) -0.12615037 
Log P -0.12615037  Molar Refractivity 12.9223 cm3
Polarizability 5.255282 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-100 °C(lit.) expand Show data source
-100°C expand Show data source
-100.4 °C expand Show data source
-100°C expand Show data source
Boiling Point
32°C expand Show data source
32.3 °C expand Show data source
32-33°C expand Show data source
32-34 °C(lit.) expand Show data source
Flash Point
-19 °C expand Show data source
-2.2 °F expand Show data source
-26°C(-14°F) expand Show data source
-28 °C (DIN 51755) expand Show data source
Auto Ignition Point
440 °C expand Show data source
842 °F expand Show data source
Density
.968 g/cm3 at 20 °C expand Show data source
0.972 expand Show data source
0.974 g/mL at 20 °C(lit.) expand Show data source
0.98 g/cm3 expand Show data source
Refractive Index
1.3440 expand Show data source
n20/D 1.343(lit.) expand Show data source
n20/D 1.344 expand Show data source
Vapor Pressure
32.81 psi ( 55 °C) expand Show data source
32.91 psi ( 55 °C) expand Show data source
644 hPa at 20 °C expand Show data source
9.21 psi ( 20 °C) expand Show data source
9.47 psi ( 20 °C) expand Show data source
Vapor Density
2.07 (air = 1) expand Show data source
2.1 (vs air) expand Show data source
Absorption Wavelength
λ: 259 nm Amax: 1.00 expand Show data source
λ: 260 nm Amax: 0.70 expand Show data source
λ: 260 nm Amax: 1.000 expand Show data source
λ: 265 nm Amax: 0.100 expand Show data source
λ: 265 nm Amax: 0.20 expand Show data source
λ: 270 nm Amax: 0.020 expand Show data source
λ: 270 nm Amax: 0.04 expand Show data source
λ: 310 nm Amax: 0.010 expand Show data source
λ: 310-400 nm Amax: 0.01 expand Show data source
Storage Condition
2-8°C expand Show data source
RTECS
LQ8925000 expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1243 expand Show data source
UN1243 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
German water hazard class
1 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Australian Hazchem
2YE expand Show data source
Risk Statements
12-20/22-36/37 expand Show data source
R:12-20/22-36/37 expand Show data source
Safety Statements
2-9-16-24-26-33 expand Show data source
9-16-24-26-33 expand Show data source
S:9-16-24-26-33 expand Show data source
EU Classification
F1 expand Show data source
EU Hazard Identification Number
3A expand Show data source
Emergency Response Guidebook(ERG) Number
129 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
Explode Limits
23 % expand Show data source
GHS Hazard statements
H224-H302-H319-H332-H335 expand Show data source
H224-H302-H332-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 1243 3/PG 1 expand Show data source
Purity
≥95% expand Show data source
≥98.5% (GC) expand Show data source
≥99.0% (GC) expand Show data source
≥99.8% (GC) expand Show data source
97% expand Show data source
97%, may cont. up to ca 3% methanol expand Show data source
99% expand Show data source
Grade
absolute expand Show data source
analytical standard expand Show data source
anhydrous expand Show data source
for UV-spectroscopy expand Show data source
puriss. expand Show data source
reagent grade expand Show data source
spectrophotometric grade expand Show data source
Certificate of Analysis
Download expand Show data source
Evaporation Residue
<0.0005% expand Show data source
≤0.0005% expand Show data source
Impurities
<0.005% water expand Show data source
<0.010% water expand Show data source
≤0.01% water expand Show data source
≤3% methyl alcohol expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
λ
1 cm path, H2O reference expand Show data source
H2O reference expand Show data source
Linear Formula
HCO2CH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02158181 external link
1 ml = approx. 0.97 g
Sigma Aldrich - W519103 external link
Packaging
1 kg in glass bottle
10 kg in steel drum
1 sample in glass bottle
25 kg in comp drum
Sigma Aldrich - M46837 external link
Packaging
1, 4 L in glass bottle
Sigma Aldrich - 259705 external link
Packaging
1, 2 L in glass bottle
Sigma Aldrich - 291056 external link
Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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