3-(BENZOYLOXY)-2,2,4-TRIMETHYLPENTYL ISOBUTYRATE

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Details

Stereochemistry	RACEMIC
Molecular Formula	C19H28O4
Molecular Weight	320.4232
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(BENZOYLOXY)-2,2,4-TRIMETHYLPENTYL ISOBUTYRATE

Structure Search

SMILES

CC(C)C(OC(=O)C1=CC=CC=C1)C(C)(C)COC(=O)C(C)C

InChI

InChIKey=FFSJSGNXYKUSCQ-UHFFFAOYSA-N

InChI=1S/C19H28O4/c1-13(2)16(19(5,6)12-22-17(20)14(3)4)23-18(21)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C19H28O4
Molecular Weight	320.4232
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 `Mon Mar 31 22:29:46 GMT 2025` Edited by `admin` on `Mon Mar 31 22:29:46 GMT 2025`
Record UNII	54X8O3GFQQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(BENZOYLOXY)-2,2,4-TRIMETHYLPENTYL ISOBUTYRATE

Systematic Name

English

ISOBUTYRIC ACID, 3-HYDROXY-2,2,4-TRIMETHYLPENTYL ESTER BENZOATE

Preferred Name

English

PROPANOIC ACID, 2-METHYL-, 3-(BENZOYLOXY)-2,2,4-TRIMETHYLPENTYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

22527-63-5

Created by admin on Mon Mar 31 22:29:46 GMT 2025 , Edited by admin on Mon Mar 31 22:29:46 GMT 2025

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ECHA (EC/EINECS)

245-054-8

Created by admin on Mon Mar 31 22:29:46 GMT 2025 , Edited by admin on Mon Mar 31 22:29:46 GMT 2025

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EPA CompTox

DTXSID3027821

Created by admin on Mon Mar 31 22:29:46 GMT 2025 , Edited by admin on Mon Mar 31 22:29:46 GMT 2025

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FDA UNII

54X8O3GFQQ

Created by admin on Mon Mar 31 22:29:46 GMT 2025 , Edited by admin on Mon Mar 31 22:29:46 GMT 2025

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PUBCHEM

90798

Created by admin on Mon Mar 31 22:29:46 GMT 2025 , Edited by admin on Mon Mar 31 22:29:46 GMT 2025

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