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Reference substances

Reference substances

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General information

Inventory

EC number:
203-341-5
EC name:
Geranyl acetate
CAS number:
105-87-3

No inventory information available

Reference substance information

IUPAC name:
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-
Synonyms
Names:
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-
2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-
2,​6-​Octadien-​1-​ol, 3,​7-​dimethyl-​, 1-​acetate
Identifier:
IUPAC name
(2E)-3,7-dimethylocta-2,6-dien-1-yl acetate
Identifier:
IUPAC name
(E)-3,7-dimethylocta-2,6-dien-1-yl acetate
Identifier:
IUPAC name
3,7-dimethylocta-2,6-dien-1-yl acetate
Identifier:
other: InChl
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+
Identifier:
other: SMILES notation
C(\CC\C=C(\C)C)(=C\COC(C)=O)C
Identifier:
other: SMILES notation
CC(=CCC\C(=C\COC(=O)C)\C)C
Identifier:
other: SMILES notation
CC(C)=CCC\C(C)=C\COC(C)=O
Identifier:
other: SMILES notation
CC(OC/C=C(C)/CC/C=C(C)\C)=O
Identifier:
other: 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
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+

CAS information

CAS number:
105-87-3

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
16409-44-2

Molecular and structural information

Molecular formula:
C12H20O2
Molecular weight:
196
SMILES notation:
O=C(OCC=C(CCC=C(C)C)C)C
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+
Structural formula:
Chemical structure