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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Benzyl 2,2,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl benzene-1,2-dicarboxylate

Inventory

EC number:
240-920-1
EC name:
Benzyl 3-isobutyryloxy-1-isopropyl-2,2-dimethylpropyl phthalate
CAS number:
16883-83-3
CAS number:
16883-83-3
Synonyms
Names:
1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl) -3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester
1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester
Identifier:
IUPAC name
benzyl 3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl phthalate
Identifier:
other: SMILES notation
CC(C)C(OC(=O)c1ccccc1C(=O)OCc2ccccc2)C(C)(C)COC(=O)C(C)C

Molecular and structural information

Molecular formula:
C27H34O6
Molecular weight:
454.57
SMILES notation:
O=C(OCC(C)(C)C(OC(=O)c(c(ccc1)C(=O)OCc(cccc2)c2)c1)C(C)C)C(C)C
InChl:
InChI=1/C27H34O6/c1-18(2)23(27(5,6)17-32-24(28)19(3)4)33-26(30)22-15-11-10-14-21(22)25(29)31-16-20-12-8-7-9-13-20/h7-15,18-19,23H,16-17H2,1-6H3
Structural formula:
Chemical structure

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