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Reference substances

Reference substances

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General information

Inventory

EC number:
247-327-7
EC name:
2-isopropenyl-5-methylhex-4-enyl acetate
CAS number:
25905-14-0

No inventory information available

Reference substance information

IUPAC name:
5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl acetate
Synonyms
Names:
(±)-Lavandulyl acetate
Identifier:
IUPAC name
2-isopropenyl-5-methylhex-4-en-1-yl acetate
Identifier:
IUPAC name
5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl acetate
Identifier:
other: SMILES notation
CC(=CCC(COC(=O)C)C(=C)C)C

CAS information

CAS number:
25905-14-0

Molecular and structural information

Molecular formula:
C12H20O2
Molecular weight:
196.29
SMILES notation:
O=C(C)OCC(CC=C(C)C)C(=C)C
InChl:
InChI=1/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3
Structural formula:
Chemical structure