SORBALDEHYDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H8O
Molecular Weight	96.1271
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C\C=C\C=O

InChI

InChIKey=BATOPAZDIZEVQF-MQQKCMAXSA-N

InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+

HIDE SMILES / InChI

Molecular Formula	C6H8O
Molecular Weight	96.1271
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Structural and kinetic determinants of aldehyde reduction by aldose reductase.	1999 Jan 5	9890881
NTP toxicology and carcinogensis Studies of 2,4-hexadienal (89% trans,trans isomer, CAS No. 142-83-6; 11% cis,trans isomer) (Gavage Studies).	2003 Oct	14999299
Human aldo-keto reductases 1B1 and 1B10: a comparative study on their enzyme activity toward electrophilic carbonyl compounds.	2011 May 30	21329684
Chemicals inducing acute irritant contact dermatitis mobilize intracellular calcium in human keratinocytes.	2013 Feb	22906572
Population-based in vitro hazard and concentration-response assessment of chemicals: the 1000 genomes high-throughput screening study.	2015 May	25622337

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:08:21 GMT 2023` Edited by `admin` on `Fri Dec 15 19:08:21 GMT 2023`
Record UNII	878K4I6N7T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SORBALDEHYDE

Common Name

English

TRANS,TRANS-2,4-HEXADIENAL [FHFI]

Common Name

English

2,4-HEXADIENAL, TRANS,TRANS-

Systematic Name

English

2,4-HEXADIENAL, (E,E)-

Systematic Name

English

NSC-16184

Code

English

2,4-HEXADIENAL [HSDB]

Common Name

English

SORBIC ALDEHYDE

Common Name

English

HEXA-2,4-DIENAL

Systematic Name

English

NSC-68096

Code

English

2,4-HEXADIENAL, (2E,4E)-

Systematic Name

English

FEMA NO. 3429

Code

English

Code System Code Type Description

ECHA (EC/EINECS)

205-564-3