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1-hydroxy-2-butanone
General Material Information
| Preferred name | 1-hydroxy-2-butanone |
| Trivial Name | 1-Hydroxy-2-butanone |
| Short Description | butan-2-one, 1-hydroxy- |
| Formula | C4 H8 O2 |
| CAS Number | 5077-67-8 |
| FEMA Number | 3173 |
| Flavis Number | 7.09 |
| ECHA Number | 225-790-6 |
| FDA UNII | M57N50D82D |
| Nikkaji Number | J203.283J |
| MDL | MFCD00010259 |
| COE Number | 11102 |
| xLogP3-AA | -0.20 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1717 1-hydroxy-2-butanone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 5077-67-8 ; 1-HYDROXY-2-BUTANONE |
| 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 |
Literature & References
| 1-hydroxybutan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5077-67-8 |
| Pubchem (cid): | 521300 |
| Pubchem (sid): | 135290857 |
| Publications by US Patents | |
| 3,952,024 - Furfurylthioacetone | |
| Certain 2,5-dimethyl-3-thiopyrazines | |
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): | HMDB31507 |
| FooDB: | FDB008098 |
| Export Tariff Code: | 2914.49.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| BOC Sciences | Parchem |
| Penta International | Sigma-Aldrich: Aldrich |
| Synerzine | Tengzhou Xiang Yuan Aroma Chemicals |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 88.106163024902 |
| Boiling Point | 152 to 154°C @ 760 mm Hg |
| Vapor Pressure | 0.854 mmHg @ 25 °C |
| Flash Point TCC Value | 60 °C TCC |
| logP (o/w) | -0.249 est |
| Solubility | |
| alcohol | Yes |
| ether | Yes |
| water, 7.211e+005 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Coffee | |
| sweet, coffee, musty, grain, malty, butterscotch, brown | |
| General comment | At 10.00 % in dipropylene glycol. sweet coffee musty grain malt butterscotch |
| Mosciano, Gerard P&F 22, No. 3, 47, (1997) | Sweet, brown, coffee, musty, grain- and pyrazine-like with malt and butterscotch nuances |
| Flavor Type: Brown | |
| brown, oily, alcoholic, grain toasted grain | |
| Mosciano, Gerard P&F 22, No. 3, 47, (1997) | At 30.00 ppm. Brown, oily and alcoholic with toasted grain notes |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Butterscotch , Coffee , Fungus , Malt |
| Flavoring purposes | Grain |
Safety Information
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: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 1-hydroxy-2-butanone usage levels up to: | |||
| 0.8000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 30.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 30.00000 | |
| fruit ices: | - | 30.00000 | |
| gelatins / puddings: | - | 80.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 30.00000 | |
| 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): |
| Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):5077-67-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :521300 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1-hydroxybutan-2-one |
| Chemidplus:0005077678 |