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2-pentyl acetate
General Material Information
| Preferred name | 2-pentyl acetate |
| Trivial Name | 2-Pentyl acetate |
| Short Description | 1-methylbutyl acetate |
| Formula | C7 H14 O2 |
| CAS Number | 626-38-0 |
| Deleted CAS Number | 116783-17-6 |
| FEMA Number | 4012 |
| Flavis Number | 9.657 |
| ECHA Number | 210-946-8 |
| FDA UNII | B570113U4Q |
| Nikkaji Number | J6.862D |
| Beilstein Number | 1721249 |
| MDL | MFCD00027906 |
| COE Number | 10761 |
| xLogP3-AA | 1.80 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1146 2-pentyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 626-38-0 ; 2-PENTYL ACETATE |
| 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
| Leffingwell: | Chirality or Article |
| pentan-2-yl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 626-38-0 |
| Pubchem (cid): | 12278 |
| Pubchem (sid): | 134978289 |
| 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): | HMDB31600 |
| FooDB: | FDB008232 |
| Export Tariff Code: | 2915.39.0090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: purity, ester content as amyl acetate, 85-88%. grades: technical. | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 130.18698120117 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.173 to 7.206 |
| Refractive Index | 1.369 to 1.4 @ 20 °C |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 9.684 mmHg @ 25 °C |
| Flash Point TCC Value | 33.33 °C TCC |
| logP (o/w) | 2.158 est |
| Solubility | |
| alcohol | Yes |
| water, 1070 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| herbal, weedy, musty, green, vegetable, nut skin, beany, ketonic, animal, orange, juicy, fruity, banana, nutty | |
| Luebke, William tgsc, (2017) | At 100.00 %. herbal weedy musty green vegetable nut skin beany ketonic animal |
| Mosciano, Gerard, (2009) | At 1.00 %. orange juicy, impacting, musty green unripe fruity reminiscent of banana and vegetative nuances with a slight nutty note |
| Flavor Type: Dairy | |
| dairy, nut skin, beany, vegetable, green, musty, nutty, oily, orange, tropical, fruity | |
| Luebke, William tgsc, (2017) | Dairy nut skin beany vegetable green musty nutty oily |
| Mosciano, Gerard, (2009) | At 10.00 ppm. Orange tingle, tropical, tongue raspy, with fruity and nutty nuances |
Occurrences
| (data available) |
Safety Information
Safety information
| 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: | |
| inhalation-guinea pig LCLo 10000 ppm/5H SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Public Health Reports. Vol. 51, Pg. 811, 1936. inhalation-human TCLo 200 ppm SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943. | |
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-pentyl acetate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.90 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 3.00 (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: 20 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 30.00000 | 120.00000 | |
| beverages(nonalcoholic): | 10.00000 | 20.00000 | |
| beverages(alcoholic): | 10.00000 | 25.00000 | |
| breakfast cereal: | 1.00000 | 10.00000 | |
| cheese: | - | - | |
| chewing gum: | 125.00000 | 300.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 5.00000 | 25.00000 | |
| egg products: | 5.00000 | 25.00000 | |
| fats / oils: | 5.00000 | 25.00000 | |
| fish products: | - | - | |
| frozen dairy: | 15.00000 | 30.00000 | |
| fruit ices: | 1.50000 | 8.00000 | |
| gelatins / puddings: | 1.50000 | 8.00000 | |
| granulated sugar: | - | - | |
| gravies: | 3.00000 | 15.00000 | |
| hard candy: | 25.00000 | 60.00000 | |
| imitation dairy: | 10.00000 | 20.00000 | |
| instant coffee / tea: | 1.50000 | 8.00000 | |
| jams / jellies: | 5.00000 | 25.00000 | |
| meat products: | - | - | |
| milk products: | 10.00000 | 20.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 5.00000 | 25.00000 | |
| snack foods: | 5.00000 | 25.00000 | |
| soft candy: | 5.00000 | 25.00000 | |
| soups: | 1.00000 | 10.00000 | |
| 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 |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4 (2012) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4 View page or View pdf |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):626-38-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12278 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1104 |
| WGK Germany:3 |
| pentan-2-yl acetate |
| Chemidplus:0000626380 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:626-38-0 |