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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

IUPAC name:
1-methoxy-4-prop-1-en-1-ylbenzene

Inventory

EC number:
224-052-0
EC name:
(E)-anethole
CAS number:
4180-23-8
CAS number:
4180-23-8
Synonyms
Names:
Benzene, 1-methoxy-4-(1-propenyl)-, (E)-
Benzene, 1-methoxy-4-(1E)-1-propenyl-
Identifier:
CAS number
4180-23-8
Identifier:
IUPAC name
1-methoxy-4-(1-propenyl)-benzene
Identifier:
IUPAC name
Anethole
Identifier:
IUPAC name
trans-Anethole
Identifier:
other: SMILES notation
COc1ccc(\C=C\C)cc1
Identifier:
other: InChl
1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
Identifier:
other: SMILES notation
C/C=C/c1ccc(cc1)OC
Identifier:
other: InChl
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
Identifier:
other: SMILES notation
O(c1ccc(cc1)C=CC)C
Identifier:
other: InChl
nChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+

Molecular and structural information

Molecular formula:
C10H12O
Molecular weight:
148.202
SMILES notation:
COc1ccc(\C=C\C)cc1
InChl:
InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3
Structural formula:
Chemical structure

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