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Compound Summary

General Compound Information

(E)-2-hexenal

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Description

(2E)-hexenal is a 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices. It has a role as a flavouring agent, an antibacterial agent and a plant metabolite.

Synonyms

trans-2-Hexenal; 6728-26-3; 2-HEXENAL; (E)-Hex-2-enal; Leaf aldehyde;

(E)-2-HEXENAL;505-57-7;trans-2-Hexen-1-al;beta-Propyl acrolein;2-trans-Hexenal;Hex-2-enal;Hexylenic aldehyde;Hex-2-en-1-al;trans-Hex-2-enal;2-Hexenal, (E)-;beta-Propylacrolein;2-Hexenal, (2E)-;3-propyl acrolein;Hexenal;(2E)-2-Hexenal;(2E)-hex-2-enal;alpha,beta-Hexylenaldehyde;Hexenal, (E)-;FEMA No. 2560;3-Propylacrolein;(2e)-hexenal;Trans-?2-?Hexenal;hexen-2-al;4-Hexenal,(4E)-;(E)-2-hexen-1-al;69JX3AIR1I;DTXSID1041425;trans-2-Hexenal-D2;2-hexenaldehyde;DTXCID9021425;3-propyl-acrolein;hexen-2-en-1-al;CAS-6728-26-3;2-hexenal, E;alpha.beta-Hexylenaldehyd;n-C3H7CH=CHCHO;CCRIS 3508;CCRIS 4565;trans-2-Hexen-1-al, natural, >=95%, FG;2-hexenal, Z-isomer;trans-2-Hexenal (leaf aldehyde);EINECS 208-014-0;EINECS 229-778-1;MFCD00007008;UNII-69JX3AIR1I;CHEBI:19591;BRN 1699684;BRN 1740988;AI3-24649;AI3-35157;trans-2-Hexenal (leaf aldehyde) (natural);trans-2 hexenal;Trans-2-exenal;trans-2-Hexenal-D4;trans-3-Propylacrolein;(E)-hex--2-enal;Nat. Trans-2-Hexenal;trans-2-Hexenyl Aldehyde;trans-2-Hexenal, 96%;GREEN LEAF ALDEHYDE;bmse000536;2-HEXENAL [FHFI];2-HEXENAL, TRANS-;(E)- hex-2-en-1-al;3-01-00-02993 (Beilstein Handbook Reference);4-01-00-03468 (Beilstein Handbook Reference);.BETA.-PROPYL ACROLEIN;trans-2-Hexen-1-al, 98%;CHEMBL2228570;CHEBI:28913;FEMA 2560;MBDOYVRWFFCFHM-SNAWJCMRSA-;ZINC1531148;Tox21_201286;Tox21_303390;LMFA06000002;s6303;(E)-2-HEXEN-1-AL [FCC];AKOS015899831;.ALPHA.-.BETA.-HEXYLENEALDEHYDE;NCGC00249015-01;NCGC00257483-01;NCGC00258838-01;trans-2-Hexen-1-al, analytical standard;DB-003793;HY-128429;CS-0099263;H0345;trans-2-Hexen-1-al, >=95%, FCC, FG;C08497;EN300-130761;EN300-373462;A828173;A835690;Q209405;85761-70-2;

FlavorDB ID

275 PUBCHEM ID

Molecular Weight

98.14 Molecular Formula

C6H10O

Openeye Can Smiles

CCCC=CC=O

IUPAC Inchikey

MBDOYVRWFFCFHM-SNAWJCMRSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	green, applelike	1.100e+2 µmol/L		details
smell	green, grassy	1.000e-1 µmol/L		details
smell	green, fatty, bitter almond	1.019e-3 µmol/L	olive oil	details
smell	bitter almond	1.274e-3 µmol/L		details
smell	bitter almond	1.274e-3 µmol/L		details
smell	green apple-like, bitter almond-like	1.121e+0 µmol/L		details
smell	green apple-like, bitter almond-like	1.936e+0 µmol/L		details
smell	NA	1.733e-1 µmol/L	water	details

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Hex-2(trans)-enal

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Output ID	SPECIES	Route	Duration Days	END POINT	QUALIFIER	VALUE	UNIT	EFFECT	Toxicity
3382	Rat	oral: feed	91	NOAEL	=	257	mg/kg bw/day	no adverse effect observed at single/highest dose

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
3382	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA CEF	2014	2498	Ambiguous
EFSA CEF	2018	3155	Negative
EFSA FAF	2020	3382	Negative

EFSA Outputs

Output ID	Title	DOI	Published
2498	Scientific Opinion on FlavouringGroup Evaluation 200 (FGE.200): 74 alpha,beta-unsaturated aldehydes and precursors from subgroup 1.1.1 of FGE.19	doi:10.2903/j.efsa.2014.3709	12Jun2014
3155	Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,b-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19	doi:10.2903/j.efsa.2018.5422	19Oct2018
3382	Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, alpha,beta-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3	doi:10.2903/j.efsa.2020.5924	09Jan2020

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive
Experimental LCMS	view	LCMS_Positive	positive

Content

Compound Summary

(E)-2-hexenal

Description

(2E)-hexenal is a 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices. It has a role as a flavouring agent, an antibacterial agent and a plant metabolite.

Synonyms

trans-2-Hexenal; 6728-26-3; 2-HEXENAL; (E)-Hex-2-enal; Leaf aldehyde;

FlavorDB ID

275

PUBCHEM ID

5281168

Molecular Weight

98.14

Molecular Formula

C6H10O

Openeye Can Smiles

CCCC=CC=O

IUPAC Inchikey

MBDOYVRWFFCFHM-SNAWJCMRSA-N

Network

Shown in network

Similarity

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Content

Compound Summary

(E)-2-hexenal

Description

(2E)-hexenal is a 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices. It has a role as a flavouring agent, an antibacterial agent and a plant metabolite.

Synonyms

trans-2-Hexenal; 6728-26-3; 2-HEXENAL; (E)-Hex-2-enal; Leaf aldehyde;

FlavorDB ID

275

PUBCHEM ID

5281168

Molecular Weight

98.14

Molecular Formula

C6H10O

Openeye Can Smiles

CCCC=CC=O

IUPAC Inchikey

MBDOYVRWFFCFHM-SNAWJCMRSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

OpenFoodTox: component Hex-2(trans)-enal

GC-MS Spectrum

GC-MS Spectrum