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Substance Name: Hexyl isovalerate
RN: 10032-13-0
UNII: 5FJ2M7YCY6
InChIKey: RSDDTPVXLMVLQE-UHFFFAOYSA-N
Molecular Formula
- C11-H22-O2
Molecular Weight
- 186.293
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Names and Synonyms
Name of Substance
- Hexyl isovalerate
Synonyms
- 3-Methylbutyric acid hexyl ester
- 4-02-00-00899 (Beilstein Handbook Reference)
- AI3-33585
- BRN 1759161
- Butanoic acid, 3-methyl-, hexyl ester
- EINECS 233-105-7
- FEMA No. 3500
- Hexyl 3-methyl butanoate
- Hexyl 3-methylbutanoate
- Hexyl 3-methylbutanoate (natural)
- Hexyl isopentanoate
- Hexyl isovalerate
- Hexyl isovalerianate
- Hexyl isovaleriate
- Isovaleric acid, hexyl ester
- n-Hexyl isopentanoate
- UNII-5FJ2M7YCY6
Systematic Names
- Butanoic acid, 3-methyl-, hexyl ester
- Hexyl isovalerate
- Isovaleric acid, hexyl ester (8CI)
Superlist Name
- Hexyl isovalerate
Registry Numbers
CAS Registry Number
- 10032-13-0
FDA UNII
- 5FJ2M7YCY6
System Generated Number
- 0010032130
Structure Descriptors
InChI
1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3InChIKey
RSDDTPVXLMVLQE-UHFFFAOYSA-NSmiles
O(C(CC(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 353, 1988. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 353, 1988. |