Registration Dossier
Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 261-245-9 | CAS number: 58430-94-7
Reference substances
- IUPAC name:
- .
Inventory
- EC number:
- 261-245-9
- EC name:
- 3,5,5-trimethylhexyl acetate
- CAS number:
- 58430-94-7
- CAS number:
- 58430-94-7
Synonyms
- Names:
- 1-Hexanol, 3,5,5-trimethyl-, 1-acetate
- 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)
- Acetic Acid 3,5,5-Trimethylhexyl Ester
- Acetic acid, 3,5,5-trimethylhexyl ester
- BRN 1758391
- Isononyl acetate
- Nonanyl acetate
- Identifier:
- IUPAC name
- Isononyl Acetate
- Identifier:
- other: InChl
- 1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3
- Identifier:
- other: SMILES notation
- C(C[C@@H](CCOC(C)=O)C)(C)(C)C
- Identifier:
- other: InChl
- InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3
- Identifier:
- other: SMILES notation
- O=C(OCCC(CC(C)(C)C)C)C
- 3,5,5-trimethylhexyl acetate
Molecular and structural information
- Molecular formula:
- C11H22O2
- Molecular weight:
- 186.291
- SMILES notation:
- CC(CCOC(=O)C)CC(C)(C)C
- InChl:
- InChI=1/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3
- Structural formula:
Related substances
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
