|
|
Substance Name: Hexyl isovalerate
RN: 10032-13-0
UNII: 5FJ2M7YCY6
InChIKey: RSDDTPVXLMVLQE-UHFFFAOYSA-N
Molecular Formula
- C11-H22-O2
Molecular Weight
- 186.293
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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. |