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Substance Name: Isobutylbenzene
RN: 538-93-2
UNII: FI94T26KGB
InChIKey: KXUHSQYYJYAXGZ-UHFFFAOYSA-N
Molecular Formula
- C10-H14
Molecular Weight
- 134.221
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Isobutylbenzene
Synonyms
- (2-Methylpropyl)benzene
- 1-Phenyl-2-methylpropane
- 2-Methyl-1-phenylpropane
- 2-Phenyl-2-methylpropane
- 4-05-00-01042 (Beilstein Handbook Reference)
- BRN 1852218
- EINECS 208-706-2
- Isobutylbenzene
- NSC 24848
- UNII-FI94T26KGB
Systematic Names
- Benzene, (2-methylpropyl)-
- Benzene, isobutyl-
- Isobutylbenzene
Superlist Names
- Benzene, (2-methylpropyl)-
- Benzene, isobutyl-
- Isobutylbenzene
Registry Numbers
CAS Registry Number
- 538-93-2
FDA UNII
- FI94T26KGB
System Generated Number
- 0000538932
Structure Descriptors
InChI
InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3InChIKey
KXUHSQYYJYAXGZ-UHFFFAOYSA-NSmiles
CC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | oral | 5gm/kg (5000mg/kg) | "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 56, 1960. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -5.14E+01 | deg C | EXP | |
| Boiling Point | 172.7 | deg C | EXP | |
| log P (octanol-water) | 4.68 | (none) | EXP | |
| Water Solubility | 10.1 | mg/L | 25 | EXP |
| Vapor Pressure | 1.93 | mm Hg | 25 | EXP |
| Henry's Law Constant | 0.034 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 8.71E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.