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isobutyl alcohol
General Material Information
| Preferred name | isobutyl alcohol |
| Trivial Name | Isobutanol |
| Short Description | isobutanol |
| Formula | C4 H10 O |
| CAS Number | 78-83-1 |
| FEMA Number | 2179 |
| Flavis Number | 2.001 |
| ECHA Number | 201-148-0 |
| FDA UNII | 56F9Z98TEM |
| Nikkaji Number | J2.831B |
| Beilstein Number | 1730878 |
| MDL | MFCD00004740 |
| COE Number | 49 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 251 isobutyl alcohol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 78-83-1 ; ISOBUTYL 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
| 2-methylpropan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 78-83-1 |
| Pubchem (cid): | 6560 |
| Pubchem (sid): | 134971079 |
| Flavornet: | 78-83-1 |
| 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 |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C14710 |
| HMDB (The Human Metabolome Database): | HMDB06006 |
| FooDB: | FDB003274 |
| YMDB (Yeast Metabolome Database): | YMDB00573 |
| Export Tariff Code: | 2905.14.5010 |
| FDA Listing of Food Additive Status: | View |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 74.122901916504 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.648 to 6.665 |
| Refractive Index | 1.394 to 1.404 @ 20 °C |
| Melting Point | -108 to -107°C @ 760 mm Hg |
| Boiling Point | 108 to 109°C @ 760 mm Hg |
| Boiling Point | 47 to 48°C @ 50 mm Hg |
| Acid Value | 2 max KOH/g |
| Vapor Pressure | 9 mmHg @ 20 °C |
| Vapor Density | 2.55 |
| Flash Point TCC Value | 27.78 °C TCC |
| logP (o/w) | 0.76 |
| Solubility | |
| alcohol | Yes |
| water, 10.5 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Ethereal | |
| ethereal, winey | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| General comment | At 10.00 % in dipropylene glycol. ethereal winey cortex |
| Flavor Type: Ethereal | |
| fusel, whiskey | |
| General comment | Fusel whiskey |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Beeswax absolute replacer, Citronella, Currant |
| Flavoring purposes | Apple, Bread white bread, Cranberry, Wine |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to eyes. R 67 - Vapours may cause frowsiness and dizziness. S 02 - Keep out of the reach of children. S 07/09 - Keep container tightly closed and in well-ventilated place. S 13 - Keep away from food, drink and animal feedingstuffs. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. 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. 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 2460 mg/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. intravenous-rat LD50 340 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. intraperitoneal-rat LD50 720 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. intraperitoneal-rabbit LD50 323 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. intravenous-mouse LD50 417 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. intraperitoneal-mouse LD50 544 mg/kg LIVER: OTHER CHANGES Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979. intraperitoneal-hamster LD50 1401 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. intraperitoneal-guinea pig LD50 1201 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. intravenous-cat LDLo 725 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 16, Pg. 1, 1920. oral-rabbit LDLo 3750 mg/kg BEHAVIORAL: GENERAL ANESTHETIC Journal of Laboratory and Clinical Medicine. Vol. 10, Pg. 985, 1925. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3400 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 11, 1974. | |
| Inhalation Toxicity: | |
| inhalation-rat LCLo 8000 ppm/4H AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
Safety in use information
| Category: | |||
| extraction solvents, flavoring agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for isobutyl alcohol usage levels up to: | |||
| 0.3000 % 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: | 20.00000 | 31.00000 | |
| beverages(nonalcoholic): | 8.00000 | 17.00000 | |
| beverages(alcoholic): | 518.00000 | 6500.00000 | |
| breakfast cereal: | - | - | |
| cheese: | 1.00000 | 1.00000 | |
| chewing gum: | 50.00000 | 500.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 19.00000 | 19.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 24.00000 | 35.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 30.00000 | 30.00000 | |
| 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: | 25.00000 | 34.00000 | |
| 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 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 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 |
| Flavouring Group Evaluation 01 Rev2 (FGE.01 Rev2): Branched-chain aliphatic saturated aldehydes, carboxylic acids and related esters of primary alcohols and branched-chain carboxylic acids from chemical groups 1 and 2 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Risk Assessment of Food Contact Materials View page or View pdf |
| EPI System: View |
| EPA-Iris:IRIS |
| 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):78-83-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6560 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1212 |
| WGK Germany:1 |
| 2-methylpropan-1-ol |
| Chemidplus:0000078831 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:78-83-1 |