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Substance Name: Phenethyl butyrate
RN: 103-52-6
UNII: 02E08ZN98R
InChIKey: WFNDDSQUKATKNX-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C12-H16-O2
Molecular Weight
- 192.256
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Names and Synonyms
Name of Substance
- Phenethyl butyrate
Synonyms
- 2-Phenethyl butanoate
- 2-Phenylethyl butanoate
- 2-Phenylethyl butyrate
- 4-06-00-03073 (Beilstein Handbook Reference)
- AI3-02954
- Benzylcarbinyl 2-methylpropanoate
- Benzylcarbinyl butyrate
- beta-Phenethyl n-butanoate
- BRN 1955788
- Butanoic acid, 2-phenylethyl ester
- Butyric acid, phenethyl ester
- EINECS 203-119-8
- FEMA No. 2861
- NSC 1271
- Phenethyl 2-methylpropanoate
- Phenethyl butanoate
- Phenethyl butyrate
- Phenethyl butyrate (natural)
- Phenylethyl butyrate
- UNII-02E08ZN98R
Systematic Names
- Butanoic acid, 2-phenylethyl ester
- Butyric acid, phenethyl ester
- Phenethyl butyrate
Superlist Name
- Phenethyl butyrate
Registry Numbers
CAS Registry Number
- 103-52-6
FDA UNII
- 02E08ZN98R
System Generated Number
- 0000103526
Structure Descriptors
InChI
InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3InChIKey
WFNDDSQUKATKNX-UHFFFAOYSA-NSmiles
CCCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5mL/kg (5mL/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 889, 1979. | |
| rabbit | LDLo | oral | 2gm/kg (2000mg/kg) | Journal of Economic Entomology. Vol. 48, Pg. 139, 1955. | |
| rat | LD50 | oral | 4600uL/kg (4.6mL/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 889, 1979. |