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Receptors

Compound Summary

General Compound Information

hexyl acetate

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Description

Hexyl acetate is the acetate ester of hexan-1-ol. It has a role as a metabolite. It derives from a hexan-1-ol.

Synonyms

Hexyl acetate; n-Hexyl acetate; 142-92-7; Hexyl ethanoate; ACETIC ACID, HEXYL ESTER;

1-Hexyl acetate;Acetic Acid Hexyl Ester;n-Hexyl ethanoate;Hexyl alcohol, acetate;FEMA No. 2565;Hexylester kyseliny octove;NSC 7323;88230-35-7;Acetic acid n-hexyl ester;Hexyl ester of acetic acid;7U7KU3MWT0;DTXSID6022006;CHEBI:87510;NSC-7323;l-Hexyl acetate;Hexyl acetate (natural);HSDB 5641;Hexylester kyseliny octove [Czech];EINECS 205-572-7;UNII-7U7KU3MWT0;BRN 1747138;AI3-28569;Acetic acid hexyl;Acetate C6;Nat. Hexyl Acetate;MFCD00009524;Hexyl Acetate Natural;Hexyl acetate, 99%;acidic acid hexyl ester;N- HEXYL ACETATE;DSSTox_CID_2006;EC 205-572-7;EC 421-230-1;Acetic acid, n-hexyl ester;DSSTox_RID_78665;EXCEED 600;HEXYL ACETATE [FCC];DSSTox_GSID_29061;SCHEMBL94650;HEXYL ACETATE [FHFI];HEXYL ACETATE [INCI];4-02-00-00159 (Beilstein Handbook Reference);WLN: 6OV1;HEXYL ESTER ACETIC ACID;DTXCID602006;CHEMBL2228454;FEMA 2565;NSC7323;Hexyl acetate, analytical standard;ZINC1683479;Tox21_200711;Tox21_301393;LMFA07010184;Hexyl acetate, >=98%, FCC, FG;AKOS015907932;ACETIC ACID, HEXYL ESTER [HSDB];NCGC00248805-01;NCGC00255245-01;NCGC00258265-01;CAS-142-92-7;LS-13519;CAS-88230-35-7;A0032;FT-0621753;Hexyl acetate, natural, >=98%, FCC, FG;A807984;Q418672;J-007722;

FlavorDB ID

2819

PUBCHEM ID

Molecular Weight

144.21 Molecular Formula

C8H16O2

Openeye Can Smiles

CCCCCCOC(=O)C

IUPAC Inchikey

AOGQPLXWSUTHQB-UHFFFAOYSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell		8.668e-4 µmol/L	apple	details
smell		7.628e+0 µmol/L	bartlett pear brandy	details
smell	green, fruity	7.628e+0 µmol/L	bartlett pear brandy	details

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

Food Additive Safety (OFAS)
HEXYL 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: Hexyl 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
2209	MSI/FC	=	9	mg/day	Chicken for egg production - adults
2209	MSI/FC	=	9	mg/day	Chicken for meat production
2209	MSI/FC	=	9	mg/day	Salmons
2209	MSI/FC	=	14	mg/day	Cats as pet
2209	MSI/FC	=	54	mg/day	Turkeys for meat production
2209	MSI/FC	=	68	mg/day	Dogs as pet
2209	MSI/FC	=	90	mg/day	Pigs - less than 1 year old
2209	MSI/FC	=	450	mg/day	Cattle for meat production - less than 1 year old
2209	MSI/FC	=	450	mg/day	Pigs for meat production - adults
2209	MSI/FC	=	900	mg/day	Pigs for reproduction - adults
2209	MSI/FC	=	1800	mg/day	Cattle for meat production - adults
2209	MSI/FC	=	2925	mg/day	Cattle for milk production - adults

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA FEEDAP	2013	2209	No data

EFSA Outputs

Output ID	Title	DOI	Published
2209	Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species	doi:10.2903/j.efsa.2013.3169	05Apr2013

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
OR2W1	details	Activated

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

Content

Compound Summary

hexyl acetate

Description

Hexyl acetate is the acetate ester of hexan-1-ol. It has a role as a metabolite. It derives from a hexan-1-ol.

Synonyms

Hexyl acetate; n-Hexyl acetate; 142-92-7; Hexyl ethanoate; ACETIC ACID, HEXYL ESTER;

FlavorDB ID

2819

PUBCHEM ID

8908

Molecular Weight

144.21

Molecular Formula

C8H16O2

Openeye Can Smiles

CCCCCCOC(=O)C

IUPAC Inchikey

AOGQPLXWSUTHQB-UHFFFAOYSA-N

Network

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Similarity

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Content

Compound Summary

hexyl acetate

Description

Hexyl acetate is the acetate ester of hexan-1-ol. It has a role as a metabolite. It derives from a hexan-1-ol.

Synonyms

Hexyl acetate; n-Hexyl acetate; 142-92-7; Hexyl ethanoate; ACETIC ACID, HEXYL ESTER;

FlavorDB ID

2819

PUBCHEM ID

8908

Molecular Weight

144.21

Molecular Formula

C8H16O2

Openeye Can Smiles

CCCCCCOC(=O)C

IUPAC Inchikey

AOGQPLXWSUTHQB-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

Reference Details

OpenFoodTox: component Hexyl acetate

Reference Details

GC-MS Spectrum