4-METHYLPENTYL ISOBUTYRATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H20O2
Molecular Weight	172.2646
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-METHYLPENTYL ISOBUTYRATE

Structure Search

SMILES

CC(C)CCCOC(=O)C(C)C

InChI

InChIKey=AJCVRKAWPQPCAA-UHFFFAOYSA-N

InChI=1S/C10H20O2/c1-8(2)6-5-7-12-10(11)9(3)4/h8-9H,5-7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C10H20O2
Molecular Weight	172.2646
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 `Wed Apr 02 09:06:27 GMT 2025` Edited by `admin` on `Wed Apr 02 09:06:27 GMT 2025`
Record UNII	1PCS2LK3IM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

4-METHYLPENTYL ISOBUTYRATE

Systematic Name

English

4-METHYL-1-PENTYL ISOBUTYRATE

Preferred Name

English

ISOHEXYL ISOBUTYRATE

Systematic Name

English

Code System Code Type Description

FDA UNII

1PCS2LK3IM

Created by admin on Wed Apr 02 09:06:27 GMT 2025 , Edited by admin on Wed Apr 02 09:06:27 GMT 2025

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CAS

35852-44-9

Created by admin on Wed Apr 02 09:06:27 GMT 2025 , Edited by admin on Wed Apr 02 09:06:27 GMT 2025

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ECHA (EC/EINECS)

252-759-4

Created by admin on Wed Apr 02 09:06:27 GMT 2025 , Edited by admin on Wed Apr 02 09:06:27 GMT 2025

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EPA CompTox

DTXSID60189401

Created by admin on Wed Apr 02 09:06:27 GMT 2025 , Edited by admin on Wed Apr 02 09:06:27 GMT 2025

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PUBCHEM

3084616

Created by admin on Wed Apr 02 09:06:27 GMT 2025 , Edited by admin on Wed Apr 02 09:06:27 GMT 2025

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