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Substance Name: Hexenyl isobutanoate, (3Z)-
RN: 41519-23-7
UNII: R84N0RD251
InChIKey: OSMAJVWUIUORGC-WAYWQWQTSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C10-H18-O2
Molecular Weight
- 170.25
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Names and Synonyms
Name of Substance
- Hexenyl isobutanoate, (3Z)-
Synonyms
- (Z)-2-Methylpropanoic acid 3-hexenyl ester
- (Z)-3-Hexenyl isobutyrate
- 3-02-00-00651 (Beilstein Handbook Reference)
- AI3-33348
- beta,gamma-Hexenyl isobutanoate
- BRN 1759547
- cis-3-Hexenyl isobutyrate
- EINECS 255-424-0
- ENT 33348
- UNII-R84N0RD251
Systematic Names
- (Z)-Hex-3-enyl isobutyrate
- Propanoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester
- Propanoic acid, 2-methyl-, (3Z)-3-hexenyl ester
- Propanoic acid, 2-methyl-, 3-hexenyl ester, (Z)-
Registry Numbers
CAS Registry Number
- 41519-23-7
FDA UNII
- R84N0RD251
System Generated Number
- 0041519237
Structure Descriptors
InChI
1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-InChIKey
OSMAJVWUIUORGC-WAYWQWQTSA-NSmiles
C(C(C)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 799, 1979. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 17, Pg. 799, 1979. |