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Reference substances

Reference substances

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General information

Inventory

EC number:
255-901-3
EC name:
(octahydro-4,7-methano-1H-indenediyl)bis(methylene) diacrylate
CAS number:
42594-17-2

No inventory information available

Reference substance information

IUPAC name:
Esterification product of tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol and prop-2-enoic acid
Synonyms
Names:
EBECRYL 130
2-Propenoic acid, (octahydro-4,7-methano-1H- indene-5,?-diyl)bis(methylene) ester
2-Propenoic acid, (octahydro-4,7-methano-1H-indene-5,?-diyl)bis(methylene) ester
2-Propenoic acid, (octahydro-4,7-methano-1H-indenediyl)bis(methylene) ester
Tricyclodecane dimethanol diacrylate
Tricyclodecanediol diacrylate
[8-(prop-2-enoyloxymethyl)tricyclo[5.2.1.0<2,6>]dec-3-yl]methyl prop-2-enoate
[8-(prop-2-enoyloxymethyl)tricyclo[5.2.1.0<2,6>]dec-4-yl]methyl prop-2-enoate
Identifier:
CAS number
42594-17-2
Identifier:
IUPAC name
Esterification product of tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol and prop-2-enoic acid
Identifier:
IUPAC name
octahydro-1H-4,7-methanoindene-1,1-diylbis(methylene) bisacrylate
Identifier:
other: Molecular formula
C18H24O4 (major constituent)
Identifier:
other: SMILES notation
C=CC(=O)OCC1(COC(=O)C=C)CCC2C3CCC(C3)C12
Identifier:
other: InChl
InChI=1/C18H24O4/c1-3-15(19)21-10-18(11-22-16(20)4-2)8-7-14-12-5-6-13(9-12)17(14)18/h3-4,12-14,17H,1-2,5-11H2
Identifier:
other: InChl
for the exo isomer in this example (4.8 substitued): InChI=1S/C18H24O4/c1-3-17(19)21-9-11-5-14-12-7-13(10-22-18(20)4-2)15(8-12)16(14)6-11/h3-4,11-16H,1-2,5-10H2
Identifier:
other: SMILES notation
the exo isomer in this example (4.8 substitued): SMILES: O=C(OCC2CC3C1CC(COC(=O)C=C)C(C1)C3(C2))C=C

CAS information

CAS number:
42594-17-2

Molecular and structural information

Molecular formula:
C18H24O4
Molecular weight:
304.381
SMILES notation:
for the exo isomer in this example (4.8 substitued):
SMILES: O=C(OCC2CC3C1CC(COC(=O)C=C)C(C1)C3(C2))C=C

InChl:
for the exo isomer in this example (4.8 substitued):
InChI=1S/C18H24O4/c1-3-17(19)21-9-11-5-14-12-7-13(10-22-18(20)4-2)15(8-12)16(14)6-11/h3-4,11-16H,1-2,5-10H2

Structural formula:
Chemical structure