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Substance Name: 1,2-Diisopropylbenzene
RN: 577-55-9
UNII: 6E5460R9HG
InChIKey: OKIRBHVFJGXOIS-UHFFFAOYSA-N
Molecular Formula
- C12-H18
Molecular Weight
- 162.274
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- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 1,2-Diisopropylbenzene
Synonyms
- 1,2-Diisopropylbenzene
- 4-05-00-01125 (Beilstein Handbook Reference)
- BRN 2040995
- EINECS 209-412-7
- HSDB 6773
- o-Diisopropylbenzene
- UNII-6E5460R9HG
Systematic Names
- 1,2-Bis(1-methylethyl)benzene
- Benzene, 1,2-bis(1-methylethyl)-
- Benzene, o-diisopropyl-
Registry Numbers
CAS Registry Number
- 577-55-9
FDA UNII
- 6E5460R9HG
System Generated Number
- 0000577559
Structure Descriptors
InChI
1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-10H,1-4H3InChIKey
OKIRBHVFJGXOIS-UHFFFAOYSA-NSmiles
c1(c(cccc1)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. 57, 1960. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -5.70E+01 | deg C | EXP | |
| Boiling Point | 204 | deg C | EXP | |
| log P (octanol-water) | 4.900 | (none) | EST | |
| Water Solubility | 4.330 | mg/L | 25 | EST |
| Henry's Law Constant | 0.020 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.01E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.