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Compound Summary

General Compound Information

(E)-2-octenal

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Description

(E)-oct-2-enal is the (E)-isomer of oct-2-enal. It has a role as an antifungal agent and a volatile oil component.

Synonyms

trans-2-Octenal; 2-OCTENAL; (E)-Oct-2-enal; (E)-2-Octenal; 2548-87-0;

2363-89-5;trans-2-Octen-1-al;(E)-2-Octen-1-al;2-Octen-1-al;2-Octenal, (E)-;2-Octenal, (2E)-;2-Octenel;trans-oct-2-enal;oct-2-enal;FEMA No. 3215;2-trans-octenal;octene-1-oxide;trans-octen-2-al;(2E)-2-Octenal;OCTENAL;CHEBI:61748;55N91D7775;2-(E)-octenal;oct-(e)-2-enal;Oct-2(E)-enal;oct-2-en-1-al;(2E)-oct-2-enal;CCRIS 3418;EINECS 219-115-4;EINECS 219-833-8;CHEBI:61725;UNII-2MU4QO235A;AI3-36269;UNII-55N91D7775;(2E)-octenal;(2E)-2-Octenal #;2-OCTENAL [FHFI];methyl2-isothiocyanatobenzoate;SCHEMBL159708;2MU4QO235A;CHEMBL448058;LVBXEMGDVWVTGY-VOTSOKGWSA-;DTXSID40858789;BCP18963;ZINC2013450;LMFA06000029;MFCD00007011;(E)-2-OCTEN-1-AL [FCC];AKOS015915261;trans-2-Octenal, technical grade, 94%;25447-69-2;AS-75664;trans-2-octen-1-al FCC, No Antioxidant;trans-2-Octenal, >=95%, stabilized, FG;CS-0200283;O0176;C21138;D91827;trans-2-Octenal, analytical reference material;A817874;A1-01903;J-016016;Q2448755;trans-2-Octenal stabilized with 0.50% alpha-tocopherol;

FlavorDB ID

2513

PUBCHEM ID

Molecular Weight

126.2 Molecular Formula

C8H14O

Openeye Can Smiles

CCCCCC=CC=O

IUPAC Inchikey

LVBXEMGDVWVTGY-VOTSOKGWSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	fatty, nutty	3.724e-4 µmol/L		details
smell	fatty, green	3.170e-2 µmol/L	apricot	details
smell	fatty, nutty	8.748e-1 µmol/L	olive oil	details
smell	green-leafy, orange		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: trans-2-Octenal

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

Reference point information of this compound is not available!

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
3267	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	2019	3267	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
3267	Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15	doi:10.2903/j.efsa.2019.5761	31Jul2019

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

Content

Compound Summary

(E)-2-octenal

Description

(E)-oct-2-enal is the (E)-isomer of oct-2-enal. It has a role as an antifungal agent and a volatile oil component.

Synonyms

trans-2-Octenal; 2-OCTENAL; (E)-Oct-2-enal; (E)-2-Octenal; 2548-87-0;

FlavorDB ID

2513

PUBCHEM ID

5283324

Molecular Weight

126.2

Molecular Formula

C8H14O

Openeye Can Smiles

CCCCCC=CC=O

IUPAC Inchikey

LVBXEMGDVWVTGY-VOTSOKGWSA-N

Network

Shown in network

Similarity

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Content

Compound Summary

(E)-2-octenal

Description

(E)-oct-2-enal is the (E)-isomer of oct-2-enal. It has a role as an antifungal agent and a volatile oil component.

Synonyms

trans-2-Octenal; 2-OCTENAL; (E)-Oct-2-enal; (E)-2-Octenal; 2548-87-0;

FlavorDB ID

2513

PUBCHEM ID

5283324

Molecular Weight

126.2

Molecular Formula

C8H14O

Openeye Can Smiles

CCCCCC=CC=O

IUPAC Inchikey

LVBXEMGDVWVTGY-VOTSOKGWSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

Reference Details

Reference Details

OpenFoodTox: component trans-2-Octenal

GC-MS Spectrum