ethyl 5-hexenoate
5-hexenoic acid, ethyl ester

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CODE158427 CODE158427
Product(s):
54653-25-7 Ethyl 5-hexenoate

CAS Number:	54653-25-7	3D/inchi
FDA UNII:	HK3B97IJ51
Nikkaji Web:	J1.449.361A
XlogP3-AA:	1.90 (est)
Molecular Weight:	142.19798000
Formula:	C8 H14 O2
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:flavor and fragrance agents

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	1273 ethyl 5-hexenoate
DG SANTE Food Flavourings:	09.921 ethyl 5-hexenoate
FEMA Number:	3976 ethyl 5-hexenoate
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	54653-25-7 ; ETHYL 5-HEXENOATE

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.90200 to 0.91200 @ 25.00 °C.
Pounds per Gallon - (est).:	7.506 to 7.589
Refractive Index:	1.43000 to 1.43900 @ 20.00 °C.
Boiling Point:	181.00 to 182.00 °C. @ 760.00 mm Hg
Acid Value:	1.00 max. KOH/g
Vapor Pressure:	1.501000 mmHg @ 25.00 °C. (est)
Flash Point:	137.00 °F. TCC ( 58.33 °C. )
logP (o/w):	2.399 (est)
Soluble in:
	alcohol
	water, 411.7 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: fruity

fruity pineapple

Odor Description:at 100.00 %. fruity pineapple

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

Axsyn

For experimental / research use only.

Ethyl-5-hexenoate

BOC Sciences

For experimental / research use only.

Ethyl 5-hexenoate

Kingchem Laboratories

ETHYL 5 HEXENOATE

Odor: Fruity, pineapple

Matrix Scientific

For experimental / research use only.

Ethyl 5-hexenoate, 97%

sds

Parchem

ethyl 5-hexenoate

Safety Information:


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for ethyl 5-hexenoate usage levels up to:
	3.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		3.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		4.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		ND (μg/person/day)
Threshold of Concern:		1800 (μg/person/day)
Structure Class:		I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 20
Click here to view publication 20
		average usual ppm	average maximum ppm
baked goods:		4.00000	8.00000
beverages(nonalcoholic):		3.00000	5.00000
beverages(alcoholic):		3.00000	5.00000
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		16.00000	30.00000
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		4.00000	6.00000
fruit ices:		3.00000	5.00000
gelatins / puddings:		4.00000	6.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		4.00000	8.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		4.00000	6.00000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Safety References:

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008)
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6420258

National Institute of Allergy and Infectious Diseases:Data

ethyl hex-5-enoate

Chemidplus:0054653257

References:

	ethyl hex-5-enoate
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	6420258
Pubchem (sid):	135356405

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
CHEBI:	View
HMDB (The Human Metabolome Database):	HMDB32267
FooDB:	FDB009390
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View