EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

ethyl 5-hexenoate
5-hexenoic acid, ethyl ester

Supplier Sponsors

CAS Number: 54653-25-7Picture of molecule3D/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 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
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
Odor Strength:medium
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%
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
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 ppmaverage maximum ppm
baked goods: 4.000008.00000
beverages(nonalcoholic): 3.000005.00000
beverages(alcoholic): 3.000005.00000
breakfast cereal: --
cheese: --
chewing gum: 16.0000030.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 4.000006.00000
fruit ices: 3.000005.00000
gelatins / puddings: 4.000006.00000
granulated sugar: --
gravies: --
hard candy: 4.000008.00000
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: 4.000006.00000
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
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
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
caramellic
maltyl propionate
FL/FR
chemical
propyl propionate
FL/FR
earthy
methyl 3-hexenoate
FL/FR
ethereal
butyl acetate
FL/FR
ethyl acetate
FL/FR
propyl valerate
FL/FR
fatty
allyl octanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 10-undecenoate
FL/FR
methyl 2-hexenoate
FL/FR
floral
geranyl valerate
FL/FR
octyl isovalerate
FL/FR
phenethyl hexanoate
FL/FR
phenethyl isovalerate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
fruity
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl amyl glycolate
FR
allyl butyrate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
allyl salicylate
FR
(E,E)-
allyl sorbate
FL/FR
allyl sorbate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
amyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
iso
butyl butyrate
FL/FR
butyl butyrate
FL/FR
iso
butyl furyl propionate
FL/FR
iso
butyl hexanoate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl (Z)-4,7-octadienoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl levulinate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
geranyl isovalerate
FL/FR
4-
heptanone
FL/FR
heptyl isobutyrate
FL/FR
herbanate (Givaudan)
FR
linalyl hexanoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isobutyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
3-
phenyl propyl hexanoate
FL/FR
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl heptanoate
FL/FR
propyl hexanoate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
iso
propyl propionate
FL/FR
iso
propyl valerate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical ionone
FL/FR
2-
undecanone
FL/FR
vanilla carboxylate
FL/FR
green
butyl 2-methyl butyrate
FL/FR
cognac heptanone
FL/FR
ethyl (E)-4-decenoate
FL/FR
galbanum oxyacetate
FR
galbascone (IFF)
FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
manzanate (Givaudan)
FL/FR
methyl (E)-3-hexenoate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
pineapple heptadienone 10%
FR
sorbyl isobutyrate
FL/FR
spirogalbanone (Givaudan)
FR
herbal
benzyl octanoate
FL/FR
nutty
2-
methyl-3-ethoxypyrazine
FL/FR
spicy
(E)-
cinnamyl isovalerate
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
2-
tropical oxathiane
FL/FR
waxy
allyl nonanoate
FL/FR
For Flavor
No flavor group found for these
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl valerate
FL
allyl sorbate
FL/FR
(E,E)-
allyl sorbate
FL/FR
iso
amyl 3-methyl thiopropionate
FL
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
benzyl octanoate
FL/FR
butyl 2-methyl butyrate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl (Z)-4,7-octadienoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl cyclohexyl carboxylate
FL
geranyl valerate
FL/FR
linalyl hexanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-hexenoate
FL/FR
S-(
methyl thio) hexanoate
FL
2-
methyl-3-ethoxypyrazine
FL/FR
octyl isovalerate
FL/FR
2-
phenyl propyl isobutyrate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl valerate
FL/FR
iso
propyl valerate
FL/FR
sorbyl propionate
FL
2-
tropical oxathiane
FL/FR
iso
butyl furyl propionate
FL/FR
sorbyl isobutyrate
FL/FR
berry
berry
heptyl isobutyrate
FL/FR
caramellic
maltyl propionate
FL/FR
citrus
cognac heptanone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
ethereal
butyl acetate
FL/FR
ethyl acetate
FL/FR
methyl isobutyrate
FL/FR
fatty
allyl octanoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
floral
tropical ionone
FL/FR
fruity
acetyl isovaleryl
FL
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl isovalerate
FL/FR
allyl phenoxyacetate
FL/FR
iso
amyl 2-methyl butyrate
FL/FR
amyl butyrate
FL/FR
iso
amyl hexanoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cherry pentenoate
FL/FR
cinnamyl isobutyrate
FL/FR
(E)-
cinnamyl isovalerate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl (Z)-4-octenoate
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl isovalerate
FL/FR
ethyl levulinate
FL/FR
ethyl propionate
FL/FR
ethyl valerate
FL/FR
furfuryl valerate
FL
4-
heptanone
FL/FR
2,4-
hexadien-1-ol
FL
methyl (E)-2-octenoate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl 3-hexenoate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
phenethyl isovalerate
FL/FR
3-
phenyl propyl hexanoate
FL/FR
pineapple enhancer
FL
pineapple hydroxyhexanoate
FL/FR
pineapple pentenoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
iso
propyl butyrate
FL/FR
propyl hexanoate
FL/FR
iso
propyl propionate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
vanilla carboxylate
FL/FR
fusel
methyl butyrate
FL/FR
green
allyl butyrate
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
methyl (E)-3-hexenoate
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
methyl 4-(methyl thio) butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
propyl propionate
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl butyrate
FL/FR
methyl 10-undecenoate
FL/FR
phenethyl hexanoate
FL/FR
propyl heptanoate
FL/FR
2-
undecanone
FL/FR
 
Potential Uses:
FRfruit
 
Occurrence (nature, food, other):note
 pineapple fruit
Search Trop Picture
 quince chinese quince fruit
Search Trop Picture
 
Synonyms:
 ethyl 5 hexenoate
 ethyl hex-5-enoate
 hex-5-enoic acid, ethyl ester
5-hexenoic acid, ethyl ester
 

Articles:

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Notes:
Used as a food additive [EAFUS]
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