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2-heptanone
General Material Information
| Preferred name | 2-heptanone |
| Trivial Name | 2-Heptanone |
| Short Description | methyl amyl ketone |
| Formula | C7 H14 O |
| CAS Number | 110-43-0 |
| FEMA Number | 2544 |
| Flavis Number | 7.002 |
| ECHA Number | 203-767-1 |
| FDA UNII | 89VVP1B008 |
| Nikkaji Number | J5.091A |
| Beilstein Number | 1699063 |
| MDL | MFCD00009513 |
| COE Number | 136 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 283 2-heptanone |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 110-43-0 ; 2-HEPTANONE |
| 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
| heptan-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 110-43-0 |
| Pubchem (cid): | 8051 |
| Pubchem (sid): | 134974351 |
| Flavornet: | 110-43-0 |
| Pherobase: | View |
| Publications by Info | |
| Heptan-2-one | |
| Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.) | |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C08380 |
| HMDB (The Human Metabolome Database): | HMDB03671 |
| FooDB: | FDB008055 |
| YMDB (Yeast Metabolome Database): | YMDB01337 |
| Export Tariff Code: | 2914.19.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: grade: technical | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 114.1877822876 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.773 to 6.815 |
| Refractive Index | 1.408 to 1.415 @ 20 °C |
| Boiling Point | 149 to 150°C @ 760 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 4.732 mmHg @ 25 °C |
| Flash Point TCC Value | 47.22 °C TCC |
| logP (o/w) | 1.98 |
| Solubility | |
| alcohol | Yes |
| propylene glycol | Yes |
| water, 2145 mg/L @ 25 °C (est) | Yes |
| water, 4300 mg/L @ 25 °C (exp) | Yes |
| water | No |
| Stability | |
| cream | Unspecified |
| hair spray | Unspecified |
| lipstick | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Cheesy | |
| fruity, spicy, sweet, herbal, coconut, woody, cheesy, ketonic, green, banana, creamy | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | > 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 10.00 % in dipropylene glycol. fruity spicy sweet herbal coconut woody |
| Mosciano, Gerard P&F 16, No. 4, 45, (1991) | Cheese, fruity, ketonic, green banana, with a creamy nuance |
| Flavor Type: Cheesy | |
| cheesy, fruity, coconut, waxy, green | |
| Mosciano, Gerard P&F 16, No. 4, 45, (1991) | At 20.00 ppm. Cheese, fruity, coconut, waxy, green |
| Provides fermented notes for blue cheese, as well as fruit flavors, especially apple. | Characteristic blue cheese, fermented |
| 2-HEPTANONE brings along with its typical blue cheese character interesting fruity, waxy and green notes which work perfectly in cheese, butter, rum, whisky, nut and various fruit flavors. | Very characteristic blue cheese note |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Banana , Blackberry , Butter , Carnation , Chypre , Cinnamon , Clove , Coconut , Cranberry , Currant , Date , Fern , Floral , Gooseberry , Herbal , Hop , Huckleberry , Lavender , Mulberry , Orange , Peach , Pineapple , Plum , Quince , Raspberry , Spice , Strawberry , Tangerine |
| Flavoring purposes | Beer , Bread white bread , Cheese roquefort cheese , Cheese swiss cheese , Grenadine , Nut , Pear emperor pear |
| Other purposes | Pheromone bee alarm pheromone |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 20/22 - Harmful by inhalation and if swallowed. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. 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 37/39 - Wear suitable gloves and eye/face protection. | |
| 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. | |
| Human Experience: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 [sex: M] 1670 mg/kg (Smyth et al., 1962) oral-mouse LD50 [sex: M] 2407 mg/kg (Tanii et al., 1986) oral-mouse LD50 1088 mg/kg (Schafer & Bowles, 1985) oral-mouse LD50 730 mg/kg (Srepel & Akacic, 1962) intraperitoneal-mouse LD50 400 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4757, 1982. oral-mouse LD50 730 mg/kg Acta Pharmaceutica Jugoslavica. Vol. 12, Pg. 79, 1962. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 12600 ul/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| Inhalation Toxicity: | |
| inhalation-rat LCLo 4000 ppm/4H American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
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 2-heptanone usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 96.00 (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: | - | 13.00000 | |
| beverages(nonalcoholic): | - | 2.70000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | 10.00000 | 25.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 6.00000 | |
| fruit ices: | - | 6.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 6.40000 | |
| 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 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
| Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
| Safety and efficacy of saturated and unsaturated aliphatic secondary alcohols, ketones and esters with esters containing secondary alcohols belonging to chemical group 5 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):110-43-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8051 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1110 |
| WGK Germany:1 |
| heptan-2-one |
| Chemidplus:0000110430 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:110-43-0 |