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

hexyl (E)-2-hexenoate
hexyl trans-2-hexenoate

Sponsors

CAS Number: 33855-57-1Picture of molecule3D/inchi
FDA UNII:8H4V153HBP
Nikkaji Web:J1.538.996F
XlogP3-AA:4.20 (est)
Molecular Weight:198.30574000
Formula:C12 H22 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
At least 92%; secondary component 6-8% hexyl trans-3-hexenoate. (EFSA) CASrn refers to (E)-isomer. Register name to be changed accordingly.
Category:flavoring 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:1810 hexyl trans-2-hexenoate
FLAVIS Number:09.292 (Old)
DG SANTE Food Flavourings:09.292 hexyl trans-2-hexenoate
FEMA Number:3692 hexyl trans-2-hexenoate
FDA Mainterm: HEXYL TRANS-2-HEXENOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 92.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.88000 to 0.89000 @ 25.00 °C.
Pounds per Gallon - (est).: 7.322 to 7.406
Refractive Index:1.43900 to 1.44500 @ 20.00 °C.
Boiling Point: 246.00 to 247.00 °C. @ 760.00 mm Hg
Boiling Point: 121.00 to 123.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.016800 mm/Hg @ 25.00 °C. (est)
Flash Point: 245.00 °F. TCC ( 118.33 °C. )
logP (o/w): 5.036 (est)
Soluble in:
 alcohol
 water, slightly
 water, 5.496 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity green fatty
Odor Description:at 100.00 %. fruity green fatty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
FEMA 3692
Parchem
hexyl (E)-2-hexenoate
Penta International
HEXYL trans-2-HEXENOATE, Kosher
Synerzine
Hexyl trans-2-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: flavoring agents
Recommendation for hexyl (E)-2-hexenoate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (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: 13
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -1.50000
beverages(alcoholic): -3.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -3.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: -2.50000
gelatins / puddings: -3.00000
granulated sugar: --
gravies: --
hard candy: -7.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -2.50000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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):
Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th 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.05Rev1 (2008)
View page or View pdf
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6435861
National Institute of Allergy and Infectious Diseases:Data
hexyl (E)-hex-2-enoate
Chemidplus:0033855571
 
References:
 hexyl (E)-hex-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:33855-57-1
Pubchem (cid):6435861
Pubchem (sid):135018352
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB38269
FooDB:FDB017566
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
fatty
hexyl pivalate
FR
floral
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
fruity
ethyl 2-cyclohexyl propionate
FR
ethyl 3,5,5-trimethyl hexanoate
FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
nerolidyl isobutyrate
FR
For Flavor
No flavor group found for these
actinidia chinensis fruit juice
FL
allyl levulinate
FL
allyl tiglate
FL
9-
decen-2-one
FL
2,5-
diethyl-4-propyl thiazole
FL
epoxy-2-decenal
FL
ethyl 2-(methyl thio) acetate
FL
furfuryl hexanoate
FL
(E,E)-2,4-
heptadien-1-ol
FL
hexanal butane-2,3-diol acetal
FL
hexanal octane-1,3-diol acetal
FL
2-
hexenal
FL
(E)-3-
hexenal
FL
2-
hexenal diethyl acetal
FL
methyl 3-hydroxybutyrate
FL
methyl 4-pentenoate
FL
6-
methyl octanal
FL
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
3-
octyl butyrate
FL
2-
propyl pyridine
FL
(±)-3-(
methyl thio) heptanal
FL
creamy
creamy
2,4-
heptadienal
FL
earthy
1-
hexen-3-yl acetate
FL
fatty
2,4-
decadienal
FL
(E,E)-2,4-
heptadienal
FL
2,4-
nonadienal
FL
fruity
ethyl (E)-2-octenoate
FL
furfuryl propionate
FL
kiwi distillates
FL
methyl (E)-3-nonenoate
FL
(Z)-3-
nonen-1-yl acetate
FL
(Z)-5-
octen-1-yl acetate
FL
green
dihydroxyacetophenone (mixed isomers)
FL
(E)-2-
heptenal
FL
(E,E)-2,4-
hexadienal
FL
2,4-
hexadienal
FL
(E)-2-
hexenal diethyl acetal
FL
2-
hexyl pyridine
FL
methyl 2-undecynoate
FL
2,4-
octadienal
FL
(E,E)-2,4-
octadienal
FL
pungent
acetaldehyde
FL
sour
3-
methyl valeric acid
FL
 
Potential Uses:
 fruity
FLgreen
 
Occurrence (nature, food, other):note
 curuba fruit
Search Trop Picture
 guanabana
Search PMC Picture
 
Synonyms:
(E)-2-hexenoic acid hexyl ester
2-hexenoic acid, hexyl ester, (2E)-
2-hexenoic acid, hexyl ester, (E)-
 hexyl (2E)-hex-2-enoate
 hexyl (E)-hex-2-enoate
 hexyl trans-2-hexenoate
 
 
Notes:
Flavouring ingredient
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