2-METHYLENEHEXANAL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12O
Molecular Weight	112.1696
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-METHYLENEHEXANAL

Structure Search

SMILES

CCCCC(=C)C=O

InChI

InChIKey=IWEWQGKFUYQGSN-UHFFFAOYSA-N

InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h6H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H12O
Molecular Weight	112.1696
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 `Mon Mar 31 21:40:54 GMT 2025` Edited by `admin` on `Mon Mar 31 21:40:54 GMT 2025`
Record UNII	BF22JRQ925
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-N-BUTYL ACROLEIN

Preferred Name

English

2-METHYLENEHEXANAL

Systematic Name

English

2-METHYLIDENEHEXANAL

Systematic Name

English

BUTYLACROLEIN, 2-

Systematic Name

English

2-BUTYLACROLEIN

Systematic Name

English

HEXANAL, 2-METHYLENE-

Systematic Name

English

.ALPHA.-BUTYLACROLEIN

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80147866

Created by admin on Mon Mar 31 21:40:54 GMT 2025 , Edited by admin on Mon Mar 31 21:40:54 GMT 2025

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FDA UNII

BF22JRQ925

Created by admin on Mon Mar 31 21:40:54 GMT 2025 , Edited by admin on Mon Mar 31 21:40:54 GMT 2025

PRIMARY

CAS

1070-66-2

Created by admin on Mon Mar 31 21:40:54 GMT 2025 , Edited by admin on Mon Mar 31 21:40:54 GMT 2025

PRIMARY

PUBCHEM

70612

Created by admin on Mon Mar 31 21:40:54 GMT 2025 , Edited by admin on Mon Mar 31 21:40:54 GMT 2025

PRIMARY

ECHA (EC/EINECS)

213-978-0

Created by admin on Mon Mar 31 21:40:54 GMT 2025 , Edited by admin on Mon Mar 31 21:40:54 GMT 2025

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