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(E)-2-hexenoic acid

Chemical Structure

General Material Information

Preferred name (E)-2-hexenoic acid
Trivial Name trans-2-Hexenoic acid
Short Description trans-2-hexenoic acid
Formula C6 H10 O2
CAS Number 13419-69-7
FEMA Number 3169
Flavis Number 8.054
ECHA Number 236-528-5
FDA UNII VQ24908VRU
Nikkaji Number J98.002A
Beilstein Number 1720443
MDL MFCD00002705
COE Number 11777
xLogP3-AA 1.60 (est)
NMR Predictor External link
JECFA Food Flavoring 1361 trans-2-hexenoic acid
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13419-69-7 ; TRANS-2-HEXENOIC ACID
Synonyms
  • (2E)- hex-2-enoic acid
  • (E)- hex-2-enoic acid
  • trans- hex-2-enoic acid
  • hex-2(E)-enoic acid
  • hex-2(trans)-enoic acid
  • (2E)-2-hexenoic acid
  • T2 hexenoic acid
  • trans-2-hexenoic acid
  • trans-2-hexenoic acid (natural)
  • trans-2-hexenoic acid natural
  • trans-2-hexenoic acid pure
  • 2-hexenoic acid, (2E)-
  • 2-hexenoic acid, (E)-
  • 2-hexenoic acid, trans-
  • trans-2-hexenoicacid
  • 3-propyl acrylic acid
  • beta- propyl acrylic acid
  • (E)-hex-2-enoic acid
  • 2-Hexenoic acid, (2E)-
  • 2-Hexenoic acid, (E)-
  • (2E)-2-Hexenoic acid
  • trans-2-Hexenoic acid

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

(E)-hex-2-enoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13419-69-7
Pubchem (cid):5282707
Pubchem (sid):134980812
Flavornet:13419-69-7
Publications by PubMed
Behavioral and electrophysiological responses of Aedes albopictus to certain acids and alcohols present in human skin emanations.
Volatile composition of six horsetails: prospects and perspectives.
Volatiles of French ferns and "fougère" scent in perfumery.
FaGT2: a multifunctional enzyme from strawberry (Fragaria x ananassa) fruits involved in the metabolism of natural and xenobiotic compounds.
Nucleotide sequence of a portion of the camphor-degrading gene cluster from Rhodococcus sp. NCIMB 9784.
Behavioral and electrophysiological responses of natural enemies to synomones from tea shoots and kairomones from tea aphids, Toxoptera aurantii.
Composition of the volatiles from intact and mechanically pierced tea aphid-tea shoot complexes and their attraction to natural enemies of the tea aphid.
Production, regeneration and biochemical precursors of the major components of the defensive secretion of Eurycotis floridana (Dictyoptera, polyzosteriinae).
Identification, synthesis, and bioactivity of a male-produced aggregation pheromone in assassin bug,Pristhesancus Plagipennis (Hemiptera: Reduviidae).
Volatile compounds from the predatory insectPodisus maculiventris (Hemiptera: Pentatomidae) : Male and female metathoracic scent gland and female dorsal abdominal gland secretions.

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB10719
FooDB:FDB008086
Export Tariff Code:2916.19.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 114.14409637451
Specific gravity @ 25 °C
Pounds per Gallon 7.972 to 8.055
Refractive Index 1.485 to 1.505 @ 20 °C
Melting Point 28 to 34°C @ 760 mm Hg
Vapor Pressure 0.054 mmHg @ 25 °C
Vapor Density 3.9
Flash Point TCC Value 110 °C TCC
logP (o/w) 1.677 est
Solubility
alcohol Yes
propylene glycol Yes
water, slightly Yes
water, 7069 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Fruity
fruity, sweet, warm, herbal
Odor strength medium , recommend smelling in a 1.00 % solution or less
Substantivity > 4 hour(s) at 100.00 %
General comment At 1.00 % in propylene glycol. powerful fruity sweet warm herbal
Flavor Type: Acidic
acidic, cheesy, fruity, sweet
General comment Acidic cheesy fruity sweet
Sharp acidic backnotes of all types of fruits, especially raspberry and strawberry, pineapple, apple, aged cheeses, and other dairy applications. Strong acidic, cheesy character.

Occurrences

Potential Uses

Applications
Odor purposes Fruit
Flavoring purposes Apple, Banana, Caramel, Cheese, Grape, Herbal, Pork, Strawberry

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 27 - Take off immediately all contaminated clothing.
S 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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 (E)-2-hexenoic acid usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 16.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 36.00 (μg/capita/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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -1.00000
condiments / relishes: -50.00000
confectionery froastings: --
egg products: --
fats / oils: -50.00000
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: -5.00000
granulated sugar: --
gravies: --
hard candy: -5.00000
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: --
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):

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 71 Revision 1 (FGE.71Rev1): consideration of aliphatic, linear, a,ß-unsaturated alcohols, aldehydes, carboxylic acids, and related esters evaluated by JECFA (63rd and 69th meeting) structurally related to flavouring substances evaluated in FGE.05Rev3
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13419-69-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5282707
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2829
WGK Germany:3
(E)-hex-2-enoic acid
Chemidplus:0013419697