| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 78-83-1 |
| ECHA EC Number: | 201-148-0 |
| FDA UNII: | 56F9Z98TEM |
| CoE Number: | 49 |
| Category: | extraction solvents, flavoring agents |
| IUPAC Name: | isobutyl alcohol |
| InChI : | InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
| Std.InChI: | InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 |
| InChIKey : | ZXEKIIBDNHEJCQ-UHFFFAOYAQ |
| Std.InChIKey: | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| SMILES : | CC(C)CO |
| MDL: | MFCD00004740 |
| Molar Refractivity : | 22.07 ± 0.3 cm3 (est) |
| Parachor : | 205.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.393 ± 0.02 (est) |
| Surface Tension : | 24.3 ± 3.0 dyne/cm (est) |
| Density : | 0.801 ± 0.06 g/cm3 (est) |
| Polarizability : | 8.75 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00 |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.79900 to 0.80100 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.648 to 6.665 |
| Refractive Index: | 1.39400 to 1.40400 @ 20.00 °C. |
| Melting Point: | -108.00 to -107.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 108.00 to 109.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 47.00 to 48.00 °C. @ 50.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 9.000000 mmHg @ 20.00 °C. |
| Vapor Density: | 2.55 ( Air = 1 ) |
| Flash Point: | 82.00 °F. TCC ( 27.78 °C. ) |
| logP (o/w): | 0.760 |
| Soluble in: | |
| alcohol | |
| water, 10.5 mg/L @ 25 °C (exp) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| 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. | |
| 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: | - | - | |
| 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 |
| 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 |
| (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 |
| apple fruit Search PMC Picture | |
| apple juice Search PMC Picture | |
| bay laurel leaf Search Trop Picture | |
| beer Search PMC Picture | |
| bread white bread Search PMC Picture | |
| caninha Search PMC Picture | |
| chamomile garden chamomile plant Search Trop Picture | |
| citronella java Search Trop Picture | |
| corn silk Search Trop Picture | |
| cranberry fruit Search Trop Picture | |
| currant black currant fruit Search Trop Picture | |
| eucalyptus amygdalina Search Trop Picture | |
| fig fruit Search Trop Picture | |
| okra fruit Search Trop Picture | |
| okra leaf Search Trop Picture | |
| orange fruit juice Search Trop Picture | |
| papaya fruit Search Trop Picture | |
| pineapple fruit Search Trop Picture | |
| plum fruit Search Trop Picture | |
| raspberry red raspberry fruit Search Trop Picture | |
| safflower bud Search Trop Picture | |
| spearmint oil Search Trop Picture | |
| sunflower flower Search Trop Picture | |
| tea leaf Search Trop Picture | |
| truffle Search Picture | |
| wine Search Picture |
| iso | butanol |
| nat.iso | butanol |
| iso | butyl alcohol FCC |
| iso | butyl alcohol natural |
| iso | butyl alcohol synthetic |
| iso | butylalkohol |
| 1- | hydroxymethyl propane |
| 1- | hydroxymethylpropane |
| 2- | methyl propan-1-ol |
| 2- | methyl propanol |
| 2- | methyl propyl alcohol |
| 2- | methyl-1-propanol |
| 2- | methylpropan-1-ol |
| 2- | methylpropanol |
| 2- | methylpropyl alcohol |
| 1- | propanol, 2-methyl- |
| iso | propyl carbinol |
| iso | propylcarbinol |
