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isoamyl alcohol
General Material Information
| Preferred name | isoamyl alcohol |
| Trivial Name | Isoamyl alcohol |
| Short Description | 3-methylbutan-1-ol (isopentanol) |
| Formula | C5 H12 O |
| CAS Number | 123-51-3 |
| FEMA Number | 2057 |
| Flavis Number | 2.003 |
| ECHA Number | 204-633-5 |
| FDA UNII | DEM9NIT1J4 |
| Nikkaji Number | J2.011G |
| Beilstein Number | 1718835 |
| MDL | MFCD00002934 |
| COE Number | 51 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 52 isoamyl alcohol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 123-51-3 ; ISOAMYL ALCOHOL |
| 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
| 3-methylbutan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 123-51-3 |
| Pubchem (cid): | 31260 |
| Pubchem (sid): | 134974567 |
| Flavornet: | 123-51-3 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C07328 |
| HMDB (The Human Metabolome Database): | HMDB06007 |
| FooDB: | FDB008131 |
| YMDB (Yeast Metabolome Database): | YMDB00570 |
| Export Tariff Code: | 2905.19.9090 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •major component of commercial amyl alcohol, fusel oil & potato-spirit oil. •grade: technical •fusel oil | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 88.149841308594 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.715 to 67.65 |
| Refractive Index | 1.405 to 1.41 @ 20 °C |
| Melting Point | -117 to -116°C @ 760 mm Hg |
| Boiling Point | 131 to 133°C @ 760 mm Hg |
| Boiling Point | 68 to 69°C @ 50 mm Hg |
| Vapor Pressure | 2.37 mmHg @ 25 °C |
| Vapor Density | 3 |
| Flash Point TCC Value | 45.56 °C TCC |
| logP (o/w) | 1.16 |
| Solubility | |
| alcohol | Yes |
| water, 2.67E+04 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Fermented | |
| fusel, alcoholic, whiskey, fruity, banana, pungent, ethereal, cognac, molasses | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 8 hour(s) at 100.00 % |
| General comment | At 10.00 % in dipropylene glycol. fusel oil alcoholic whiskey fruity banana |
| Mosciano, Gerard P&F 22, No. 4, 75, (1997) | Fusel, alcoholic, pungent, etherial, cognac, fruity, banana and molasses |
| VCF-online.nl | Alcohol, balsamic, banana, cheese, cocoa, floral, fruit, fusel, malt, must, nail polish, pungent, rancid, roasted bread, yeast Quantity range in all products 0 — 19800 ppm (n=385) |
| Flavor Type: Fusel | |
| fusel, fermented, fruity, banana, ethereal, cognac | |
| Mosciano, Gerard P&F 22, No. 4, 75, (1997) | At 50.00 ppm. Fusel, fermented, fruity, banana, etherial and cognac |
| General comment | WINEY, COGNAC, BRANDY |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Chamomile, Citronella, Eucalyptus oil replacer, Geranium, Plum mirabelle plum |
| Flavoring purposes | Apple, Apricot, Banana, Beer, Cherry, Chocolate, Coffee, Cranberry, Malt, Plum, Plum greengage plum |
| Cosmetic purposes | Perfuming agents, Solvents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 20 - Harmful by inhalation. R 37 - Irritating to respiratory system. R 66 - Repeated exposure may cause skin dryness or cracking. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. 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. S 46 - If swallowed, seek medical advice immediately and show this container or label. | |
| 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 1300 mg/kg BLOOD: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES LIVER: FATTY LIVER DEGERATION South African Medical Journal. Vol. 43, Pg. 795, 1969. oral-rabbit LD50 3438 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA CARDIAC: PULSE RATE SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. intravenous-mouse LD50 234 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. intravenous-cat LDLo 210 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978. intraperitoneal-mouse LDLo 233 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978. intravenous-rabbit LDLo 1570 mg/kg BEHAVIORAL: ANTIPSYCHOTIC Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978. intraperitoneal-rat LDLo 813 mg/kg Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 132, Pg. 214, 1928. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3970 ul/kg South African Medical Journal. Vol. 43, Pg. 795, 1969. subcutaneous-mouse LDLo 7480 mg/kg Food and Cosmetics Toxicology. Vol. 16, Pg. 785, 1978. skin-rabbit LD50 3970 uL/kg American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
| Inhalation Toxicity: | |
| inhalation-human TCLo 150 ppm SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE 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 isoamyl alcohol usage levels up to: | |||
| 0.8000 % in the fragrance concentrate. | |||
| 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: 3. Update in publication number(s): 29 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 17.00000 | 27.00000 | |
| beverages(nonalcoholic): | 4.00000 | 17.00000 | |
| beverages(alcoholic): | 500.00000 | 4500.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 594.00000 | 594.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 5.00000 | 10.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 12.00000 | 46.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 158.00000 | 168.00000 | |
| 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: | 8.00000 | 14.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 1, Revision 1 (FGE.01Rev 1): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 (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 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific 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 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| 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 |
| Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 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):123-51-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :31260 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1105 |
| WGK Germany:1 |
| 3-methylbutan-1-ol |
| Chemidplus:0000123513 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:123-51-3 |