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Substance Name: 2-Methyl-4-phenyl-2-acetoxybutane
RN: 103-07-1
UNII: 9YRG98MG30
InChIKey: ZXFNOEJFYLQUSB-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C13-H18-O2
Molecular Weight
- 206.2832
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Names and Synonyms
Name of Substance
- 2-Methyl-4-phenyl-2-acetoxybutane
Synonyms
- 2-Butanol, 2-methyl-4-phenyl-, acetate
- 2-Methyl-4-phenyl-2-butanyl acetate
- 2-Methyl-4-phenyl-2-butyl acetate
- 4-06-00-03380 (Beilstein Handbook Reference)
- AI3-24193
- alpha,alpha-Dimethylbenzenepropanol acetate
- alpha,alpha-Dimethylbenzenepropyl acetate
- Benzenepropanol, alpha,alpha-dimethyl-, acetate
- BRN 2522047
- Dimethyl phenethyl carbinyl acetate
- Dimethylphenethylcarbinyl acetate
- Dimethylphenylethylcarbinyl acetate
- Dmpec acetate
- EINECS 203-077-0
- FEMA No. 2735
- Phenylethyl dimethyl carbinyl acetate
- UNII-9YRG98MG30
Systematic Names
- 1,1-Dimethyl-3-phenylpropyl acetate
- Acetic acid, (1,1-dimethyl-3-phenylpropyl) ester
- Benzenepropanol, alpha,alpha-dimethyl-, 1-acetate
- Benzenepropanol, alpha,alpha-dimethyl-, acetate
Superlist Name
- 1,1-Dimethyl-3-phenylpropan-1-yl acetate
Registry Numbers
CAS Registry Number
- 103-07-1
FDA UNII
- 9YRG98MG30
System Generated Number
- 0000103071
Structure Descriptors
InChI
InChI=1S/C13H18O2/c1-11(14)15-13(2,3)10-9-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3InChIKey
ZXFNOEJFYLQUSB-UHFFFAOYSA-NSmiles
CC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 4850mg/kg (4850mg/kg) | Food and Cosmetics Toxicology. Vol. 16, Pg. 721, 1978. |