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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
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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.