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3-hydroxy-2-pentanone
Notes:
Used as a food additive [EAFUS]
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Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
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| CAS Number: | 3142-66-3 |  3D/inchi
|
| FDA UNII: | BQA0W5LG7K | |
| Nikkaji Web: | J581.587H | |
| MDL: | MFCD18430765 | |
| CoE Number: | 11115 | |
| XlogP3-AA: | 0.20 (est) | |
| Molecular Weight: | 102.13310000 | |
| Formula: | C5 H10 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | JECFA evaluated 3-hydroxy-2-pentanone (CASrn as in Register). (R)- or (S)-enantiomer not specified by CASrn in Register. | |
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: | 409 3-hydroxy-2-pentanone |
| DG SANTE Food Flavourings: | 07.125 3-hydroxypentan-2-one |
| FEMA Number: | 3550 3-hydroxy-2-pentanone |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 3142-66-3 ; 3-HYDROXY-2-PENTANONE |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.00800 to 1.01400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.388 to 8.437 |
| Refractive Index: | 1.43600 to 1.44000 @ 20.00 °C. |
| Boiling Point: | 105.00 to 107.00 °C. @ 50.00 mm Hg |
| Vapor Pressure: | 1.715000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 128.00 °F. TCC ( 53.33 °C. ) |
| logP (o/w): | 0.211 (est) |
| Soluble in: | |
| alcohol | |
| water, 2.907e+005 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: herbal | |
| Odor Strength: | medium |
| herbal truffle | |
| Odor Description: at 100.00 %. | herbal truffle |
| Flavor Type: creamy | |
| buttery creamy earthy | |
| Taste Description: | buttery creamy |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Aston Chemical |
| For experimental / research use only. |
| 2-Pentanone, 3-hydroxy- |
| BOC Sciences |
| For experimental / research use only. |
| (S)-3-Hydroxypentanoate 95% |
| Parchem |
| acetyl ethyl carbinol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 3-Ethyl-3-hydroxy-2-pentanone |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| Preferred SDS: View | |
| 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 acetyl ethyl carbinol usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (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: 11 | |||
| Click here to view publication 11 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 10.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 10.00000 | |
| 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: | - | 10.00000 | |
| 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 11 (FGE.11): Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 11, Revision 1 (FGE.11Rev1) - Aliphatic dialcohols, diketones, and hydroxyketones from chemical group 10 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 62484 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3-hydroxypentan-2-one | |
| Chemidplus: | 0003142663 |
References:
| 3-hydroxypentan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 3142-66-3 |
| Pubchem (cid): | 62484 |
| Pubchem (sid): | 135019607 |
| Flavornet: | 3142-66-3 |
| Pherobase: | View |
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 |
| HMDB (The Human Metabolome Database): | HMDB31516 |
| FooDB: | FDB008110 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Potential Blenders and core components note
Potential Uses:
| herbal | FL | |
| mushroom | FL |
Occurrence (nature, food, other): note
| coffee Search PMC Picture |
Synonyms:
| 1- | acetyl-1-propanol |
| acetylethylcarbinol | |
| 3- | hydroxy-2-pentanone |
| 3- | hydroxypentan-2-one |
| 3- | hydroxypentanone |
| 1- | hydroxypropyl methyl ketone |
| methyl furan-2-carboxlate |