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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Reference substances

Reference substances

Currently viewing:
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:
Chemical structure

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