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(Z)-3-hexenoic acid

Chemical Structure

General Material Information

Preferred name (Z)-3-hexenoic acid
Trivial Name (Z)-3-Hexenoic acid
Short Description cis-3-hexenoic acid
Formula C6 H10 O2
CAS Number 1775-43-5
FEMA Number 4493
ECHA Number 217-205-8
FDA UNII 86H58C39ZV
Nikkaji Number J98.005F
Beilstein Number 1902955
xLogP3-AA 1.20 (est)
NMR Predictor External link
JECFA Food Flavoring 2181 cis-3-hexenoic acid
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 1775-43-5 ; CIS-3-HEXENOIC ACID
Synonyms
  • (3Z)- hex-3-enoic acid
  • (Z)- hex-3-enoic acid
  • cis- hex-3-enoic acid
  • (3Z)-3-hexenoic acid
  • C3 hexenoic acid
  • cis-3-hexenoic acid
  • cis-3-hexenoic acid BRI (natural)
  • 3-hexenoic acid, (3Z)-
  • 3-hexenoic acid, (Z)-
  • cis-3-hexenoicacid
  • (Z)-hex-3-enoic acid
  • 3-Hexenoic acid, (3Z)-
  • 3-Hexenoic acid, (Z)-
  • (3Z)-3-Hexenoic acid
  • cis-3-Hexenoic acid
  • 3-Cis hexenoic acid

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

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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):HMDB31501
FooDB:FDB021772
Export Tariff Code:2916.19.6000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 114.14409637451
Specific gravity @ 25 °C
Pounds per Gallon 8.005 to 8.055
Refractive Index 1.437 to 1.443 @ 20 °C
Boiling Point 209 to 210°C @ 760 mm Hg
Vapor Pressure 0.083 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 98.89 °C TCC
logP (o/w) 1.344 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen.
Solubility
water, 7069 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Green
green, grassy, sweaty, fruity, cheesy, acidic
General comment At 1.00 % in propylene glycol. green grass sweaty fruity cheesy acid

Occurrences

Potential Uses

Applications
Odor purposes Passion fruit
Flavoring purposes Cheese blue cheese, Cheese cheddar cheese, Cheese swiss cheese, Grape, Melon, Raspberry, Tea, Wine

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 34 - Causes burns.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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 (Z)-3-hexenoic acid usage levels up to:
not for fragrance use.
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: 24
Click here to view publication 24
average usual ppmaverage maximum ppm
baked goods: 7.0000016.00000
beverages(nonalcoholic): 2.000004.00000
beverages(alcoholic): 2.000004.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 4.000008.00000
fruit ices: --
gelatins / puddings: 2.000005.00000
granulated sugar: --
gravies: --
hard candy: --
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: 7.0000015.00000
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):1775-43-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5355152
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3265
WGK Germany:3
(Z)-hex-3-enoic acid
Chemidplus:0001775435