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Reference substances

Reference substances

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General information

Inventory

EC number:
205-459-2
EC name:
Neryl acetate
CAS number:
141-12-8

No inventory information available

Reference substance information

IUPAC name:
(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate
Synonyms
Names:
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-
Identifier:
IUPAC name
(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate
Identifier:
IUPAC name
(2Z)-3,7-dimethylocta-2,6-dien-1-yl acetate
Identifier:
IUPAC name
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Identifier:
other: InChl
1/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
Identifier:
other: SMILES notation
CC(=CCC/C(=C\COC(=O)C)/C)C
Identifier:
other: SMILES notation
C\C(C)=C\CCC(/C)=C\COC(C)=O
Identifier:
other: InChl
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
3,7-dimethylocta-2,6-dien-1-yl acetate (Z)-

CAS information

CAS number:
141-12-8

Molecular and structural information

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