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Details

Stereochemistry RACEMIC
Molecular Formula C27H34O6
Molecular Weight 454.5553
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL (1-(ISOBUTYRYLOXY)-2,2,4-TRIMETHYLPENTAN-3-YL) PHTHALATE

SMILES

CC(C)C(OC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2)C(C)(C)COC(=O)C(C)C

InChI

InChIKey=HPZSSCRWFLKGOG-UHFFFAOYSA-N
InChI=1S/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

HIDE SMILES / InChI

Molecular Formula C27H34O6
Molecular Weight 454.5553
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:47:35 GMT 2023
Edited
by admin
on Sat Dec 16 11:47:35 GMT 2023
Record UNII
NUV6UJ7024
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL (1-(ISOBUTYRYLOXY)-2,2,4-TRIMETHYLPENTAN-3-YL) PHTHALATE
Systematic Name English
ISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER BENZYL PHTHALATE
Systematic Name English
1,3-PENTANEDIOL, 2,2,4-TRIMETHYL-, 3-(BENZYL PHTHALATE) ISOBUTYRATE
Systematic Name English
PHTHALIC ACID, BENZYL 3-HYDROXY-1-ISOPROPYL-2,2-DIMETHYLPROPYL ESTER ISOBUTYRATE
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, 1-(2,2-DIMETHYL-1-(1-METHYLETHYL)-3-(2-METHYL-1-OXOPROPOXY)PROPYL) 2-(PHENYLMETHYL) ESTER
Systematic Name English
1,2-BENZENEDICARBOXYLIC ACID, 2,2-DIMETHYL-1-(1-METHYLETHYL)-3-(2-METHYL-1-OXOPROPOXY)PROPYL PHENYLMETHYL ESTER
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
240-920-1
Created by admin on Sat Dec 16 11:47:35 GMT 2023 , Edited by admin on Sat Dec 16 11:47:35 GMT 2023
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EPA CompTox
DTXSID4027785
Created by admin on Sat Dec 16 11:47:35 GMT 2023 , Edited by admin on Sat Dec 16 11:47:35 GMT 2023
PRIMARY
PUBCHEM
28124
Created by admin on Sat Dec 16 11:47:35 GMT 2023 , Edited by admin on Sat Dec 16 11:47:35 GMT 2023
PRIMARY
CAS
16883-83-3
Created by admin on Sat Dec 16 11:47:35 GMT 2023 , Edited by admin on Sat Dec 16 11:47:35 GMT 2023
PRIMARY
FDA UNII
NUV6UJ7024
Created by admin on Sat Dec 16 11:47:35 GMT 2023 , Edited by admin on Sat Dec 16 11:47:35 GMT 2023
PRIMARY