2-BUTYL-2-BUTENAL, (2E)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H14O
Molecular Weight	126.1962
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-BUTYL-2-BUTENAL, (2E)-

Structure Search

SMILES

CCCC\C(C=O)=C/C

InChI

InChIKey=RAPHJZMCZKGDSB-XBXARRHUSA-N

InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h4,7H,3,5-6H2,1-2H3/b8-4+

HIDE SMILES / InChI

Molecular Formula	C8H14O
Molecular Weight	126.1962
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:43:07 GMT 2025` Edited by `admin` on `Mon Mar 31 19:43:07 GMT 2025`
Record UNII	C09PCM2QXX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-BUTYL-2-BUTENAL, (2E)-

Systematic Name

English

FEMA NO. 3392

Preferred Name

English

2-BUTYL-2-BUTENAL

Systematic Name

English

HEXANAL, 2-ETHYLIDENE-

Systematic Name

English

2-ETHYLIDENEHEXANAL

Systematic Name

English

HEXANAL, 2-ETHYLIDENE-, (E)-

Systematic Name

English

HEXANAL, 2-ETHYLIDENE-, (2E)-

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

2-BUTYL-2-BUTENAL

Created by admin on Mon Mar 31 19:43:07 GMT 2025 , Edited by admin on Mon Mar 31 19:43:07 GMT 2025

Code System Code Type Description

FDA UNII

C09PCM2QXX

Created by admin on Mon Mar 31 19:43:07 GMT 2025 , Edited by admin on Mon Mar 31 19:43:07 GMT 2025

PRIMARY

JECFA MONOGRAPH

1223

Created by admin on Mon Mar 31 19:43:07 GMT 2025 , Edited by admin on Mon Mar 31 19:43:07 GMT 2025

PRIMARY

ECHA (EC/EINECS)

246-950-1

Created by admin on Mon Mar 31 19:43:07 GMT 2025 , Edited by admin on Mon Mar 31 19:43:07 GMT 2025

PRIMARY

PUBCHEM

5463946

Created by admin on Mon Mar 31 19:43:07 GMT 2025 , Edited by admin on Mon Mar 31 19:43:07 GMT 2025

PRIMARY

EPA CompTox

DTXSID901339051

Created by admin on Mon Mar 31 19:43:07 GMT 2025 , Edited by admin on Mon Mar 31 19:43:07 GMT 2025

PRIMARY

CAS

87745-65-1

Created by admin on Mon Mar 31 19:43:07 GMT 2025 , Edited by admin on Mon Mar 31 19:43:07 GMT 2025

PRIMARY

CAS

25409-08-9

Created by admin on Mon Mar 31 19:43:07 GMT 2025 , Edited by admin on Mon Mar 31 19:43:07 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY