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Reference substances

Reference substances

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General information

Inventory

EC number:
256-905-8
EC name:
Vinyl neodecanoate
CAS number:
51000-52-3

No inventory information available

Reference substance information

IUPAC name:
ethenyl 2,2-dimethyloctanoate
Synonyms
Names:
AICS listed
DSL listed
EINECS listed
ENCS listed
Neodecanoic acid, ethenyl ester
PICCS listed
TSCA listed
neodecanoate acid, ethenyl ester
Identifier:
CAS number
51000-52-3
Identifier:
IUPAC name
ethenyl 2,2-dimethyloctanoate
Identifier:
IUPAC name
ethenyl 7,7-dimethyloctanoate
Identifier:
IUPAC name
vinyl 7,7-dimethyloctanoate
Identifier:
other: SMILES notation
C=COC(=O)CCCCCC(C)(C)C
Identifier:
other: SMILES notation
not required for an uvcb substance
Identifier:
other: InChl
not required for an uvcb substance
vinyl neodecanoate

CAS information

CAS number:
51000-52-3

Molecular and structural information

Molecular formula:
C12H22O2
Molecular weight:
198.302
SMILES notation:
O=C(OC=C)C(C)(C)CCCCCC
InChl:
InChI=1/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3
Structural formula:
Chemical structure