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isopropyl formate
General Material Information
| Preferred name | isopropyl formate |
| Trivial Name | Isopropyl formate |
| Short Description | formic acid, isopropyl ester |
| Formula | C4 H8 O2 |
| CAS Number | 625-55-8 |
| FEMA Number | 2944 |
| Flavis Number | 9.165 |
| ECHA Number | 210-901-2 |
| FDA UNII | H1L164W42G |
| Nikkaji Number | J53.981C |
| Beilstein Number | 1735844 |
| MDL | MFCD00014127 |
| COE Number | 503 |
| xLogP3-AA | 0.90 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 304 isopropyl formate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 625-55-8 ; ISOPROPYL FORMATE |
| 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
| propan-2-yl formate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 625-55-8 |
| Pubchem (cid): | 12257 |
| Pubchem (sid): | 134977891 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB40579 |
| FooDB: | FDB020361 |
| Export Tariff Code: | 2915.13.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
| Grau Aromatics | Penta International |
| Santa Cruz Biotechnology | Sigma-Aldrich: Aldrich |
| SRS Aromatics | Synerzine |
| TCI AMERICA | Penta International Corporation |
| SRS Aromatics Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 88.106163024902 |
| Boiling Point | 67 to 70°C @ 760 mm Hg |
| Vapor Pressure | 127.065002 mmHg @ 25 °C |
| Flash Point TCC Value | -13.89 °C TCC |
| logP (o/w) | 0.73 est |
| Solubility | |
| alcohol | Yes |
| water, 2.967e+004 mg/L @ 25 °C (est) | Yes |
| water, 2.07E+04 mg/L @ 25 °C (exp) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Ethereal | |
| ethereal, solvent, cocoa, tropical, sweet, fruity | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | < 1 hour(s) at 100.00 % |
| Luebke, William tgsc, (2007) | At 10.00 % in dipropylene glycol. ethereal solvent cocoa tropical |
| Mosciano, Gerard P&F 15, No. 3, 51, (1990) | Sweet, etherial, solvent like with a fruity lift |
| Flavor Type: Fruity | |
| sweet, fruity, berry | |
| Mosciano, Gerard P&F 15, No. 3, 51, (1990) | At 35.00 ppm. Sweet, fruity with a berry lift |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Melon , Papaya , Plum , Raspberry , Saffron |
| Flavoring purposes | Tropical |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 12 - Extremely flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 09 - Keep container in a well-ventilated place. S 16 - Keep away from sources of ignition - No Smoking. 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 33 - Take precautionary measures against static discharge. S 36/37/39 - Wear suitable clothing, 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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 4300 mg/kg (FDA, 1975a) oral-rabbit LD50 2500 mg/kg (FDA, 1975a) oral-guinea pig LD50 2700 mg/kg (FDA, 1975a) oral-chicken LD50 2100 mg/kg (FDA, 1975a) oral-guinea pig LD50 1400 mg/kg "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 256, 1969. | |
| 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 isopropyl formate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.45 (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: | 60.00000 | 100.00000 | |
| beverages(nonalcoholic): | 18.00000 | 25.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 18.00000 | 25.00000 | |
| fruit ices: | 18.00000 | 25.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 55.00000 | 100.00000 | |
| 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 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 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):625-55-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12257 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1281 |
| WGK Germany:1 |
| propan-2-yl formate |
| Chemidplus:0000625558 |
| RTECS:LQ8750000 for cas# 625-55-8 |