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Substance Name: Phenethyl isovalerate
RN: 140-26-1
UNII: K86JE60K0L
InChIKey: JIMGVOCOYZFDKB-UHFFFAOYSA-N
Molecular Formula
- C13-H18-O2
Molecular Weight
- 206.283
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Names and Synonyms
Name of Substance
- Phenethyl isovalerate
Synonyms
- 2-Phenylethyl 3-methylbutanoate
- 2-Phenylethyl 3-methylbutirate
- 2-Phenylethyl isovalerate
- 4-06-00-03074 (Beilstein Handbook Reference)
- AI3-30606
- Benzylcarbinyl 3-methylbutanoate
- Benzylcarbinyl isopentanoate
- Benzylcarbinyl isovalerate
- BRN 2504902
- Butanoic acid, 3-methyl-, 2-phenylethyl ester
- EINECS 205-406-3
- FEMA No. 2871
- Isovaleric acid, phenethyl ester
- NSC 21899
- Phenethyl 3-methylbutyrate
- Phenethyl isovalerate
- Phenethyl isovalerate (natural)
- Phenethyl isovalerianate
- Phenylethyl 3-methylbutyrate
- Phenylethyl isovalerate
- UNII-K86JE60K0L
Systematic Names
- Butanoic acid, 3-methyl-, 2-phenylethyl ester
- Isovaleric acid, phenethyl ester
- Phenethyl isovalerate
Superlist Name
- Phenethyl isovalerate
Registry Numbers
CAS Registry Number
- 140-26-1
FDA UNII
- K86JE60K0L
System Generated Number
- 0000140261
Structure Descriptors
InChI
1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3InChIKey
JIMGVOCOYZFDKB-UHFFFAOYSA-NSmiles
c1(CCOC(CC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 6220mg/kg (6220mg/kg) | Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. | |
| mouse | LD50 | oral | 6220mg/kg (6220mg/kg) | Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. | |
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 961, 1974. | |
| rat | LD50 | oral | 6220mg/kg (6220mg/kg) | Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. |