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Substance Name: Allyl octanoate
RN: 4230-97-1
UNII: 17ZH17CKME
InChIKey: PZGMUSDNQDCNAG-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C11-H20-O2
Molecular Weight
- 184.277
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Names and Synonyms
Name of Substance
- Allyl octanoate
Synonyms
- 2-Propenyl octanoate
- 2-Propenyl octylate
- 3-02-00-00795 (Beilstein Handbook Reference)
- AI3-36007
- Allyl caprylate
- Allyl octanoate
- Allyl octylate
- BRN 1768774
- EINECS 224-184-9
- FEMA No. 2037
- NSC 32645
- Octanoic acid, 2-propenyl ester
- Octanoic acid, allyl ester
- UNII-17ZH17CKME
Systematic Names
- Allyl octanoate
- Octanoic acid, 2-propen-1-yl ester
- Octanoic acid, 2-propenyl ester
- Octanoic acid, allyl ester
Superlist Name
- Allyl octanoate
Registry Numbers
CAS Registry Number
- 4230-97-1
FDA UNII
- 17ZH17CKME
System Generated Number
- 0004230971
Structure Descriptors
InChI
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3InChIKey
PZGMUSDNQDCNAG-UHFFFAOYSA-NSmiles
CCCCCCCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 570mg/kg (570mg/kg) | Food and Cosmetics Toxicology. Vol. 16, Pg. 643, 1978. |