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isoamyl formate
General Material Information
| Preferred name | isoamyl formate |
| Trivial Name | Isoamyl formate |
| Short Description | isopentyl formate |
| Formula | C6 H12 O2 |
| CAS Number | 110-45-2 |
| FEMA Number | 2069 |
| Flavis Number | 9.162 |
| ECHA Number | 203-769-2 |
| FDA UNII | 50L53EN043 |
| Nikkaji Number | J1.973I |
| Beilstein Number | 1739893 |
| MDL | MFCD00021049 |
| COE Number | 500 |
| xLogP3-AA | 1.80 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 42 isoamyl formate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 110-45-2 ; ISOAMYL 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 |
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 |
| KEGG (GenomeNet): | C12293 |
| HMDB (The Human Metabolome Database): | HMDB34163 |
| FooDB: | FDB012449 |
| Export Tariff Code: | 2915.13.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 116.16004180908 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.306 to 7.389 |
| Refractive Index | 1.392 to 1.402 @ 20 °C |
| Boiling Point | 123 to 124°C @ 760 mm Hg |
| Boiling Point | 49 to 50°C @ 50 mm Hg |
| Acid Value | 3 max KOH/g |
| Vapor Pressure | 15.3 mmHg @ 25 °C |
| Vapor Density | 4 |
| Flash Point TCC Value | 30 °C TCC |
| logP (o/w) | 1.749 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| water, 0.33 gm to 100 ml water | Yes |
| alcohol | Yes |
| fixed oils | Yes |
| propylene glycol | Yes |
| water, 3500 mg/L @ 25 °C (exp) | Yes |
| glycerin | No |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| plum, currant black currant, ethereal, cortex, dry, earthy, fruity, green, sharp, estery, apple, waxy | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1988) | At 10.00 % in dipropylene glycol. plum black currant ethereal vinous dry earthy fruit green |
| Mosciano, Gerard P&F 23, No. 1, 33, (1998) | Sharp, green estry, apple and waxy |
| Flavor Type: Green | |
| sharp, green, apple, fruity, winey, fatty | |
| Mosciano, Gerard P&F 23, No. 1, 33, (1998) | At 15.00 ppm. Sharp, green, apple and fruity with winey, fatty notes |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apricot , Fruit , Honey , Leather , Lemon , Orange , Peach , Pear , Pineapple , Plum , Raspberry , Saffron , Strawberry , Tea green tea , Wine , Woodruff |
| Flavoring purposes | Bread , Vinegar , Whiskey |
| Other purposes | Peau d'espagne |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37 - Irritating to eyes and respiratory system. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 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 9840 mg/kg (Jenner et al., 1964) oral-rabbit LD50 3020 mg/kg (Munch, 1972) oral-rat LD50 9840 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-rabbit LD50 3020 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 829, 1979. | |
| 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 isoamyl formate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| 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: | - | 16.00000 | |
| beverages(nonalcoholic): | - | 8.40000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 250.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 14.00000 | |
| fruit ices: | - | 14.00000 | |
| gelatins / puddings: | 2.00000 | 28.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 22.00000 | |
| 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 Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):110-45-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8052 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1109 |
| WGK Germany:1 |
| 3-methylbutyl formate |
| Chemidplus:0000110452 |
| RTECS:NT0185000 for cas# 110-45-2 |