5-Methyl-2-(isopropyl)phenyl isovalerate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H22O2
Molecular Weight	234.334
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Methyl-2-(isopropyl)phenyl isovalerate

Structure Search

SMILES

CC(C)CC(=O)OC1=CC(C)=CC=C1C(C)C

InChI

InChIKey=NZIACPHCVAFJBR-UHFFFAOYSA-N

InChI=1S/C15H22O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h6-7,9-11H,8H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C15H22O2
Molecular Weight	234.334
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:29:08 GMT 2023` Edited by `admin` on `Sat Dec 16 12:29:08 GMT 2023`
Record UNII	A5Z5X5C4KL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Methyl-2-(isopropyl)phenyl isovalerate

Systematic Name

English

5-Methyl-2-(1-methylethyl)phenyl 3-methylbutanoate

Systematic Name

English

Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

A5Z5X5C4KL

Created by admin on Sat Dec 16 12:29:08 GMT 2023 , Edited by admin on Sat Dec 16 12:29:08 GMT 2023

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CAS

69844-33-3

Created by admin on Sat Dec 16 12:29:08 GMT 2023 , Edited by admin on Sat Dec 16 12:29:08 GMT 2023

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EPA CompTox

DTXSID70220137

Created by admin on Sat Dec 16 12:29:08 GMT 2023 , Edited by admin on Sat Dec 16 12:29:08 GMT 2023

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ECHA (EC/EINECS)

274-146-0

Created by admin on Sat Dec 16 12:29:08 GMT 2023 , Edited by admin on Sat Dec 16 12:29:08 GMT 2023

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PUBCHEM

155224

Created by admin on Sat Dec 16 12:29:08 GMT 2023 , Edited by admin on Sat Dec 16 12:29:08 GMT 2023

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