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Reference substances

Reference substances

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General information

Inventory

EC number:
274-581-6
EC name:
1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CAS number:
70356-09-1

No inventory information available

Reference substance information

IUPAC name:
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Synonyms
Names:
1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl] -3-(4-methoxyphenyl)-
1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)-
Avobenzone
BMDBM
Butylmethoxydibenzoylmethane
Identifier:
CAS number
70356-09-1
Identifier:
IUPAC name
1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
Identifier:
other: SMILES notation
c1(ccc(C(C)(C)C)cc1)C(CC(c1ccc(OC)cc1)=O)=O
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione

CAS information

CAS number:
70356-09-1

Molecular and structural information

Molecular formula:
C20H22O3
Molecular weight:
310.387
SMILES notation:
COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C
InChl:
InChI=1/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3
Structural formula:
Chemical structure