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4-pentenoic acid

Chemical Structure

General Material Information

Preferred name 4-pentenoic acid
Trivial Name 4-Pentenoic acid
Short Description 3-vinylpropionic acid
Formula C5 H8 O2
CAS Number 591-80-0
FEMA Number 2843
Flavis Number 8.048
ECHA Number 209-732-7
FDA UNII D4S77Y29FB
Nikkaji Number J53.731D
Beilstein Number 1633696
MDL MFCD00004408
COE Number 2004
xLogP3-AA 0.80 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 314 4-pentenoic acid
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 591-80-0 ; 4-PENTENOIC ACID
Synonyms
  • allyl acetic acid
  • allylaceticacid
  • allylessigsaeure
  • pent-4-enoic acid
  • 4-penten-1-oic acid
  • 4 pentenoic acid
  • delta 4-pentenoic acid
  • 3-vinyl propionic acid
  • 3-vinylpropionic acid
  • Δ4-Pentenoic acid
  • Allylacetic acid
  • NSC 20944
  • NSC 9000
  • (3-Vinyl)propionic acid
  • MeSH ID: C009785

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31602
FooDB:FDB008235
Export Tariff Code:2916.19.9590
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 100.11715698242
Specific gravity @ 25 °C
Pounds per Gallon 8.08 to 8.146
Refractive Index 1.424 to 1.432 @ 20 °C
Melting Point -23 to -22°C @ 760 mm Hg
Boiling Point 83 to 84°C @ 12 mm Hg
Boiling Point 188 to 189°C @ 760 mm Hg
Vapor Pressure 0.267 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 89.44 °C TCC
logP (o/w) 0.984 est
Solubility
alcohol Yes
water, slightly Yes
water, 1.765e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Cheesy
cheesy, cheesy parmesan cheese, caramellic, buttery
Odor strength medium , recommend smelling in a 0.10 % solution or less
Substantivity > 24 hour(s) at 100.00 %
General comment At 0.10 % in propylene glycol. cheese parmesan romano ricotta
Flavor Type: Dairy
dairy, cheesy, fruity
General comment Dairy cheesy fruity
Aged cheese and other dairy type flavors, acidic notes of a variety of fruits, especially tropical flavors, pineapple, apple, and berry flavors. Strong, dairy, aged cheese character, with some fruity backnotes

Potential Uses

Applications
Odor purposes Fruit
Flavoring purposes Butter, Caramel, Cheese

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 22 - Harmful if swallowed.
R 34 - Causes burns.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 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.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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:
gavage-mouse LD50 610 mg/kg
(Jenner et al., 1964)

gavage-rat LD50 [sex: M/F] 470 mg/kg
(Jenner et al., 1964)

intraperitoneal-mouse LD50 315 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) ENDOCRINE: HYPOGLYCEMIA SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

oral-mouse LD50 610 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

oral-rat LD50 470 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity:
subcutaneous-mouse LD50 315 mg/kg
SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE ENDOCRINE: HYPOGLYCEMIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
IFRA Purity Specification:
Recommendation for 4-pentenoic acid usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.90 (μg/capita/day)
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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: -2.00000
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: --
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
View page or View pdf

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):591-80-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61138
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2922
WGK Germany:1
pent-4-enoic acid
Chemidplus:0000591800
RTECS:SB2800000 for cas# 591-80-0