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Substance Name: Hexyl isobutyrate
RN: 2349-07-7
UNII: 5FC79GHU69
InChIKey: CYHBDKTZDLSRMY-UHFFFAOYSA-N
Classification Codes
- Natural Product
- Skin / Eye Irritant
Molecular Formula
- C10-H20-O2
Molecular Weight
- 172.266
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Names and Synonyms
Name of Substance
- Hexyl isobutyrate
Synonyms
- 1-Hexyl isobutyrate
- AI3-19791
- BRN 2075011
- EINECS 219-075-8
- FEMA No. 3172
- Hexyl 2-methylpropanoate
- Hexyl 2-methylpropionate
- Hexyl isobutanoate
- Hexyl isobutyrate
- Hexyl isobutyrate (natural)
- Isobutyric acid, hexyl ester
- n-Hexyl isobutanoate
- n-Hexyl isobutyrate
- NSC 46108
- Propanoic acid, 2-methyl-, hexyl ester
- UNII-5FC79GHU69
Systematic Names
- Hexyl isobutyrate
- Isobutyric acid, hexyl ester
- Propanoic acid, 2-methyl-, hexyl ester
Superlist Name
- Hexyl isobutyrate
Registry Numbers
CAS Registry Number
- 2349-07-7
FDA UNII
- 5FC79GHU69
System Generated Number
- 0002349077
Structure Descriptors
InChI
InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3InChIKey
CYHBDKTZDLSRMY-UHFFFAOYSA-NSmiles
CCCCCCOC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 719, 1982. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 719, 1982. |