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Reference substances

Reference substances

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General information

Inventory

EC number:
204-116-4
EC name:
Linalyl acetate
CAS number:
115-95-7

No inventory information available

Reference substance information

IUPAC name:
1,5-dimethyl-1-vinylhex-4-en-1-yl acetate
Synonyms
Names:
1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
Identifier:
IUPAC name
3,7-dimethylocta-1,6-dien-3-yl acetate
Identifier:
other:
3,7-dimethylocta-1,6-dien-3-yl acetate
Identifier:
other: SMILES notation
CC(=CCCC(C)(C=C)OC(=O)C)C
Identifier:
other: InChl
InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3

CAS information

CAS number:
115-95-7

Molecular and structural information

Molecular formula:
C12H20O2
Molecular weight:
196.286
SMILES notation:
CC(=CCCC(C)(OC(=O)C)C=C)C
InChl:
InChI=1/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
Structural formula:
Chemical structure