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4-pentenoic acid
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 |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
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 |
Suppliers
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 |
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 ppm | average 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 |