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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
oxacycloheptadec-10-en-2-one

Inventory

EC number:
249-120-7
EC name:
Oxacycloheptadec-10-en-2-one
CAS number:
28645-51-4
CAS number:
28645-51-4
Synonyms
Names:
.DELTA.9-Isoambrettolic acid, lactone
Oxacycloheptadec-10-en-2-one
Identifier:
IUPAC name
(10Z)-1-oxacycloheptadec-10-en-2-one
Identifier:
IUPAC name
Oxacycloheptadec-10-en-2-one
Identifier:
other: Isoambrettolide
Identifier:
other: Molecular formula
C16 H28 O2
Identifier:
other: SMILES notation
C1CCCC=CCCCCCCOC(=O)CCC1
Identifier:
other: InChl
InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2
Identifier:
other: InChl
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1+
Identifier:
other: InChl
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-
Identifier:
other: SMILES notation
O=C1CCCCCCC/C=C/CCCCCCO1
Identifier:
other: SMILES notation
O=C1CCCCCCC\C=C/CCCCCCO1
oxacycloheptadec-10-en-2-one

Molecular and structural information

Molecular formula:
C16H28O2
Molecular weight:
252.395
SMILES notation:
C1C=CCCCCCCOC(CCCCCC1)=O
InChl:
1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1-
Structural formula:
Chemical structure

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