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Compound Summary

General Compound Information

(Z)-3-hexenyl acetate

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Description

(3Z)-hex-3-en-1-yl acetate is an acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol. It has a role as a metabolite. It is an acetate ester and an olefinic compound. It derives from a (Z)-hex-3-en-1-ol and an acetic acid.

Synonyms

cis-3-Hexenyl acetate; 3681-71-8; (Z)-3-HEXENYL ACETATE; [(Z)-hex-3-enyl] acetate; Leaf acetate;

(Z)-Hex-3-enyl acetate;cis-3-Hexen-1-yl acetate;3-Hexen-1-ol, acetate, (Z)-;cis-3-Hexenyl ethanoate;(3Z)-3-Hexenyl acetate;(3Z)-hex-3-en-1-yl acetate;cis-3-Hexenol acetate;3Z-hexenyl acetate;FEMA No. 3171;3-Hexenylacetate;(Z)-3-hexenol acetate;3-Hexenyl acetate, cis-;(Z)-3-Hexen-1-ol acetate;Acetic acid cis-3-hexenyl ester;3(Z)-Hexenyl acetate;3-hexen-1-yl acetate;cis-hex-3-enyl acetate;3-Hexenol acetate, cis;Hex-3(Z)-enyl acetate;cis-3-Hexenyl-1-Acetate;Z-Hex-3-en-1-yl acetate;6INA6GC5I6;cis-3-Hexen-1-ol, acetate;(Z)-3-hexen-1-yl acetate;(Z)-hex-3-en-1-yl acetate;(Z)-3-Hexen-1-yl, acetate;DTXSID0041484;CHEBI:61316;3-Hexen-1-ol, acetate, (3Z)-;1708-82-3;3-hexenyl acetate;3-Hexenyl acetate, (Z)-;EINECS 222-960-1;cis-3-Hexen-1-yl acetate (natural);UNII-6INA6GC5I6;BRN 1721854;(3Z)-C-3-Hexenyl acetate;AI3-34392;z3HAC;cis 3-Hexenyl acetate;Cis 3 Hexenyl Acetate;fema 3171;EC 222-960-1;(3Z)-hex-3-enyl acetate;Acetate(Z)-3-Hexen-1-ol;3-02-00-00287 (Beilstein Handbook Reference);(3Z)-3-Hexenyl acetate #;SCHEMBL113309;Acetate(3Z)-3-Hexen-1-ol;(3Z)-3-Hexen-1-ol acetate;cis-3-Hexenyl acetate, natural;CHEMBL2251454;DTXCID8021484;1-Acetate(3Z)-3-Hexen-1-ol;ZINC5225119;Tox21_302290;3-HEXENYL ACETATE, (3Z)-;LMFA07010181;MFCD00036563;CIS 3 HEXENYL ACETATE NATURAL;(Z)-3-HEXENYL ACETATE [FCC];3-Hexen-1-ol, 1-acetate, (3Z)-;NCGC00255643-01;CAS-3681-71-8;CIS-3-HEXEN-1-YL ACETATE [FHFI];cis-3-Hexenyl acetate, analytical standard;A0888;cis-3-Hexenyl acetate, natural, >=95%, FG;C19757;Q1368869;cis-3-Hexenyl acetate, >=98%, stabilized, FCC, FG;

FlavorDB ID

2944

PUBCHEM ID

Molecular Weight

142.2 Molecular Formula

C8H14O2

Openeye Can Smiles

CCC=CCCOC(=O)C

IUPAC Inchikey

NPFVOOAXDOBMCE-PLNGDYQASA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	fruity	1.266e-4 µmol/L	olive oil	details
smell	green banana-like	9.142e-2 µmol/L		details
smell	green banana-like	2.180e-1 µmol/L		details
smell	grassy, green		water	details
smell	grassy, green	7.037e-3 µmol/L	water	details

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

Food Additive Safety (OFAS)
CIS-3-HEXEN-1-YL ACETATE is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Hex-3(cis)-enyl acetate

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
2864	MSI/FC	=	11	mg/kg	Cats as pet
2864	MSI/FC	=	21	mg/kg	Chicken for egg production
2864	MSI/FC	=	21	mg/kg	Chicken for meat production
2864	MSI/FC	=	25	mg/kg	Pigs - less than 1 year old
2864	MSI/FC	=	36	mg/kg	Cattle for milk production
2864	MSI/FC	=	38	mg/kg	Turkeys for meat production
2864	MSI/FC	=	42	mg/kg	Pigs for meat production
2864	MSI/FC	=	42	mg/kg	Pigs for reproduction
2864	MSI/FC	=	56	mg/kg	Cattle for meat production
2864	MSI/FC	=	64	mg/kg	Cattle for meat production - less than 1 year old
2864	MSI/FC	=	64	mg/kg	Salmons
2864	MSI/FC	=	67	mg/kg	Dogs as pet

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA FEEDAP	2016	2864	Not determined

EFSA Outputs

Output ID	Title	DOI	Published
2864	Safety and efficacy of non-conjugated and accumulated unsaturated straight-chain and branched-chain, aliphatic primary alcohols, aldehydes, acids, acetals and esters belonging to chemical group 4 when used as flavourings for all animal species	doi:10.2903/j.efsa.2016.4559	22Aug2016

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

(Z)-3-hexenyl acetate

Description

(3Z)-hex-3-en-1-yl acetate is an acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol. It has a role as a metabolite. It is an acetate ester and an olefinic compound. It derives from a (Z)-hex-3-en-1-ol and an acetic acid.

Synonyms

cis-3-Hexenyl acetate; 3681-71-8; (Z)-3-HEXENYL ACETATE; [(Z)-hex-3-enyl] acetate; Leaf acetate;

FlavorDB ID

2944

PUBCHEM ID

5363388

Molecular Weight

142.2

Molecular Formula

C8H14O2

Openeye Can Smiles

CCC=CCCOC(=O)C

IUPAC Inchikey

NPFVOOAXDOBMCE-PLNGDYQASA-N

Network

Shown in network

Similarity

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Content

Compound Summary

(Z)-3-hexenyl acetate

Description

(3Z)-hex-3-en-1-yl acetate is an acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol. It has a role as a metabolite. It is an acetate ester and an olefinic compound. It derives from a (Z)-hex-3-en-1-ol and an acetic acid.

Synonyms

cis-3-Hexenyl acetate; 3681-71-8; (Z)-3-HEXENYL ACETATE; [(Z)-hex-3-enyl] acetate; Leaf acetate;

FlavorDB ID

2944

PUBCHEM ID

5363388

Molecular Weight

142.2

Molecular Formula

C8H14O2

Openeye Can Smiles

CCC=CCCOC(=O)C

IUPAC Inchikey

NPFVOOAXDOBMCE-PLNGDYQASA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

OpenFoodTox: component Hex-3(cis)-enyl acetate

GC-MS Spectrum