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Substance Name: 3,5,5-Trimethylhexyl acetate
RN: 58430-94-7
UNII: 9HMD71U17Z
InChIKey: DGKXDLCVQSQVBC-UHFFFAOYSA-N
Molecular Formula
- C11-H22-O2
Molecular Weight
- 186.293
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Names and Synonyms
Name of Substance
- 3,5,5-Trimethylhexyl acetate
Synonyms
- 1-Hexanol, 3,5,5-trimethyl-, acetate
- 3,5,5-Trimethyl-1-hexanol acetate
- 3,5,5-Trimethyl-1-hexanol, acetate
- 3,5,5-Trimethylhexan-1-ol acetate
- 3,5,5-Trimethylhexyl acetate
- 4-02-00-00168 (Beilstein Handbook Reference)
- BRN 1758391
- EC 261-245-9
- EINECS 261-245-9
- Isononyl acetate
- Nonanyl acetate
- UNII-9HMD71U17Z
Systematic Names
- 1-Hexanol, 3,5,5-trimethyl-, 1-acetate
- 1-Hexanol, 3,5,5-trimethyl-, acetate
- 3,5,5-Trimethylhexyl acetate
- Acetic acid, 3,5,5-trimethylhexyl ester
Registry Numbers
CAS Registry Number
- 58430-94-7
FDA UNII
- 9HMD71U17Z
System Generated Number
- 0058430947
Structure Descriptors
InChI
InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3InChIKey
DGKXDLCVQSQVBC-UHFFFAOYSA-NSmiles
CC(CCOC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 1009, 1974. | |
rat | LD50 | oral | 4250mg/kg (4250mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 1009, 1974. |