|
|
Substance Name: Methyl isobutyrate
RN: 547-63-7
UNII: EM286QL922
InChIKey: BHIWKHZACMWKOJ-UHFFFAOYSA-N
Molecular Formula
- C5-H10-O2
Molecular Weight
- 102.132
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Methyl isobutyrate
Synonyms
- 4-02-00-00846 (Beilstein Handbook Reference)
- BRN 1740720
- EINECS 208-929-5
- FEMA No. 2694
- Isobutyric acid, methyl ester
- Methyl 2-methylpropanoate
- Methyl 2-methylpropionate
- Methyl isobutanoate
- Methyl isobutyrate
- Methyl isobutyrate (natural)
- Methylester kyseliny isomaselne
- Methylester kyseliny isomaselne [Czech]
- NSC 126780
- Propanoic acid, 2-methyl-, methyl ester
- UNII-EM286QL922
Systematic Names
- Isobutyric acid, methyl ester
- Methyl isobutyrate
- Propanoic acid, 2-methyl-, methyl ester
Superlist Name
- Methyl isobutyrate
Registry Numbers
CAS Registry Number
- 547-63-7
FDA UNII
- EM286QL922
System Generated Number
- 0000547637
Structure Descriptors
InChI
InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3InChIKey
BHIWKHZACMWKOJ-UHFFFAOYSA-NSmiles
COC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 25500mg/m3/2H (25500mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 84, 1982. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | -8.47E+01 | deg C | EXP | |
Boiling Point | 92.5 | deg C | EXP | |
log P (octanol-water) | 1.280 | (none) | EST | |
Water Solubility | 9270 | mg/L | 25 | EST |
Vapor Pressure | 49.3 | mm Hg | 25 | EXP |
Henry's Law Constant | 3.09E-04 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 1.15E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.