2,4-DIMETHYLHEXANE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C8H18
Molecular Weight	114.2285
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4-DIMETHYLHEXANE

Structure Search

SMILES

CCC(C)CC(C)C

InChI

InChIKey=HDGQICNBXPAKLR-UHFFFAOYSA-N

InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C8H18
Molecular Weight	114.2285
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 22:40:33 GMT 2025` Edited by `admin` on `Mon Mar 31 22:40:33 GMT 2025`
Record UNII	9A9NBD65O2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-74171

Preferred Name

English

2,4-DIMETHYLHEXANE

Systematic Name

English

(±)-2,4-DIMETHYLHEXANE

Systematic Name

English

HEXANE, 2,4-DIMETHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60873237

Created by admin on Mon Mar 31 22:40:33 GMT 2025 , Edited by admin on Mon Mar 31 22:40:33 GMT 2025

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CAS

589-43-5

Created by admin on Mon Mar 31 22:40:33 GMT 2025 , Edited by admin on Mon Mar 31 22:40:33 GMT 2025

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FDA UNII

9A9NBD65O2

Created by admin on Mon Mar 31 22:40:33 GMT 2025 , Edited by admin on Mon Mar 31 22:40:33 GMT 2025

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PUBCHEM

11511

Created by admin on Mon Mar 31 22:40:33 GMT 2025 , Edited by admin on Mon Mar 31 22:40:33 GMT 2025

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CAS

116502-44-4

Created by admin on Mon Mar 31 22:40:33 GMT 2025 , Edited by admin on Mon Mar 31 22:40:33 GMT 2025

SUPERSEDED

NSC

74171

Created by admin on Mon Mar 31 22:40:33 GMT 2025 , Edited by admin on Mon Mar 31 22:40:33 GMT 2025

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CHEBI

141561

Created by admin on Mon Mar 31 22:40:33 GMT 2025 , Edited by admin on Mon Mar 31 22:40:33 GMT 2025

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ECHA (EC/EINECS)

209-649-6

Created by admin on Mon Mar 31 22:40:33 GMT 2025 , Edited by admin on Mon Mar 31 22:40:33 GMT 2025

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