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

4-pentenoic acid
3-vinylpropionic acid

Sponsors

Name:pent-4-enoic acid
CAS Number: 591-80-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-732-7
FDA UNII:D4S77Y29FB
Nikkaji Web:J53.731D
Beilstein Number:1633696
MDL:MFCD00004408
CoE Number:2004
XlogP3-AA:0.80 (est)
Molecular Weight:100.11716000
Formula:C5 H8 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
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:314 4-pentenoic acid
FLAVIS Number:08.048 (Old)
DG SANTE Food Flavourings:08.048 pent-4-enoic acid
FEMA Number:2843 4-pentenoic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 4-PENTENOIC ACID
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.97100 to 0.97900 @ 25.00 °C.
Pounds per Gallon - (est).: 8.080 to 8.146
Refractive Index:1.42400 to 1.43200 @ 20.00 °C.
Melting Point: -23.00 to -22.00 °C. @ 760.00 mm Hg
Boiling Point: 83.00 to 84.00 °C. @ 12.00 mm Hg
Boiling Point: 188.00 to 189.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.267000 mm/Hg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 193.00 °F. TCC ( 89.44 °C. )
logP (o/w): 0.984 (est)
Soluble in:
 alcohol
 water, slightly
 water, 1.765e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: cheesy
Odor Strength:medium ,
recommend smelling in a 0.10 % solution or less
Substantivity: > 24 hour(s) at 100.00 %
cheesy cheesy parmesan cheese
Odor Description:at 0.10 % in propylene glycol. cheese parmesan romano ricotta
Flavor Type: dairy
dairy cheesy fruity
Taste Description: dairy cheesy fruity
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
4-PENTENOIC ACID ≥97.5%, Kosher
Odor Description:A cheese-like aroma
Taste Description:Strong, dairy, aged cheese character, with some fruity backnotes
Aged cheese and other dairy type flavors, acidic notes of a variety of fruits, especially tropical flavors, pineapple, apple, and berry flavors.
Apiscent Labs
4 PENTENOIC ACID
Odor Description:Powerful, pungent, mustard-like
FCI SAS
4-PENTENOIC ACID
Odor Description:Powerful, pungent, mustard-like
Taste Description:Sour, caramellic, with sweet aftertaste
 
Cosmetic Information:
None found
 
Suppliers:
Apiscent Labs
4 PENTENOIC ACID
Odor: Powerful, pungent, mustard-like
Bedoukian Research
4-PENTENOIC ACID
≥97.5%, Kosher
Odor: A cheese-like aroma
Flavor: Strong, dairy, aged cheese character, with some fruity backnotes
Aged cheese and other dairy type flavors, acidic notes of a variety of fruits, especially tropical flavors, pineapple, apple, and berry flavors.
Beijing Lys Chemicals
4-Pentenoic acid
BOC Sciences
For experimental / research use only.
4-Pentenoic Acid
EMD Millipore
For experimental / research use only.
4-Pentenoic Acid
FCI SAS
4-PENTENOIC ACID
Odor: Powerful, pungent, mustard-like
Flavor: Sour, caramellic, with sweet aftertaste
Indukern F&F
4-PENTENOIC ACID
Odor: POWERFUL, CHEESE, BUTTER
Inoue Perfumery
4-PENTENOIC ACID
M&U International
4-PENTENOIC ACID
PCAS
4-Pentenoic Acid
Penta International
4-PENTENOIC ACID, Kosher
Robinson Brothers
4-Pentenoic acid F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
4-Pentenoic Acid
Sigma-Aldrich
4-Pentenoic acid, ≥98%, stabilized, FG
Odor: butter; cheese; fruity
Certified Food Grade Products
Synerzine
4-Pentenoic Acid
TCI AMERICA
For experimental / research use only.
4-Pentenoic Acid >98.0%(GC)(T)
Treatt
4-Pentenoic Acid
Kosher
 
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: < 0.1% free allyl alcohol
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
 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
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity: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
 
References:
 pent-4-enoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:591-80-0
Pubchem (cid):61138
Pubchem (sid):135017872
 
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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31602
FooDB:FDB008235
Export Tariff Code:2916.19.9590
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
2-
methyl butyric acid
FL/FR
buttery
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
cheesy
butyric acid
FL/FR
heptanoic acid
FL/FR
2-
heptanone
FL/FR
2-
methyl hexanoic acid
FL/FR
S-(
methyl thio) butyrate
FL/FR
2-
methyl valeric acid
FL/FR
iso
valeric acid
FL/FR
fatty
hexanoic acid
FL/FR
fruity
cyclohexyl carboxylic acid
FL/FR
filbert hexenone
FL/FR
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl valerate
FL/FR
prenyl hexanoate
FL/FR
sorbyl butyrate
FL/FR
fungal
1-
decen-3-ol
FL/FR
green
(E)-2-
hexenal
FL/FR
nutty
nutty quinoxaline
FL/FR
waxy
2-
methyl heptanoic acid
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
For Flavor
No flavor group found for these
iso
butyl amine
FL
ethyl cyclohexyl carboxylate
FL
(E,E)-2,4-
heptadien-1-ol
FL
(Z)-3-
hexenoic acid
FL
5-
methyl hexanoic acid
FL
4-
methyl valeric acid
FL
prenyl hexanoate
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
(E)-2-
hexenoic acid
FL
buttery
2,3-
heptane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
cheesy
ammonium isovalerate 30% in pg
FL
2-
heptanone
FL/FR
hexanoic acid
FL/FR
iso
valeric acid
FL/FR
creamy
acetoin butyrate
FL
butyl butyryl lactate
FL/FR
cream
cheese flavor
FL
2-
methyl-4-pentenoic acid
FL
earthy
1-
decen-3-ol
FL/FR
fatty
dimethyl sulfoxide
FL
nonanoic acid
FL/FR
(E)-2-
octenoic acid
FL
fermented
methyl thio isovalerate
FL
fruity
cyclohexyl carboxylic acid
FL/FR
filbert hexenone
FL/FR
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl butyric acid
FL/FR
methyl valerate
FL/FR
sorbyl butyrate
FL/FR
green
(E)-2-
hexenal
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
musty
S-(
methyl thio) butyrate
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
sour
butyric acid
FL/FR
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
sulfurous
methyl 4-(methyl thio) butyrate
FL
sweet
cyclohexyl acetic acid
FL/FR
toasted
acetyl propionyl
FL/FR
waxy
heptanoic acid
FL/FR
2-
methyl heptanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
 
Potential Uses:
FLbutter
FLcaramel
FLcheese
 fruit
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 
 
Notes:
Inhibitor of fatty acid oxidation inhibitor of fatty acid oxidation. Flavouring ingredient
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