| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 71-36-3 |
| ECHA EC Number: | 200-751-6 |
| FDA UNII: | 8PJ61P6TS3 |
| CoE Number: | 52 |
| Category: | cosmetic, flavor and fragrance agents; extraction solvents |
| IUPAC Name: | butyl alcohol |
| InChI : | InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 |
| Std.InChI: | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 |
| InChIKey : | LRHPLDYGYMQRHN-UHFFFAOYAS |
| Std.InChIKey: | LRHPLDYGYMQRHN-UHFFFAOYSA-N |
| SMILES : | CCCCO |
| MDL: | MFCD00002964 |
| Molar Refractivity : | 22.11 ± 0.3 cm3 (est) |
| Parachor : | 208.0 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.395 ± 0.02 (est) |
| Surface Tension : | 26.0 ± 3.0 dyne/cm (est) |
| Density : | 0.805 ± 0.06 g/cm3 (est) |
| Polarizability : | 8.76 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Food Chemicals Codex Listed: | Yes |
| Specific Gravity: | 0.80500 to 0.81000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.698 to 6.740 |
| Refractive Index: | 1.39700 to 1.40200 @ 20.00 °C. |
| Melting Point: | -89.00 to -88.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 117.00 to 119.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 57.00 to 58.00 °C. @ 50.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 6.700000 mmHg @ 25.00 °C. |
| Vapor Density: | 2.5 ( Air = 1 ) |
| Flash Point: | 95.00 °F. TCC ( 35.00 °C. ) |
| logP (o/w): | 0.880 |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| water, 6.32E+04 mg/L @ 25 °C (exp) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | denaturants perfuming agents solvents |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 10 - Flammable. R 22 - Harmful if swallowed. 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 23 - Do not breath vapour. 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 790 mg/kg LIVER: FATTY LIVER DEGERATIONBLOOD: OTHER CHANGESKIDNEY, URETER, AND BLADDER: OTHER CHANGES South African Medical Journal. Vol. 43, Pg. 795, 1969. intravenous-rat LD50 310 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. intraperitoneal-rat LD50 1122 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985. oral-rabbit LD50 3484 mg/kg SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYELUNGS, THORAX, OR RESPIRATION: DYSPNEACARDIAC: PULSE RATE Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. oral-mouse LD50 2680 mg/kg Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(11), Pg. 57, 1981. intravenous-mouse LD50 377 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962. intraperitoneal-mouse LD50 254 mg/kg LIVER: OTHER CHANGES Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979. oral-bird - wild LD50 2500 mg/kg Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. oral-dog LDLo 1760 mg/kg GASTROINTESTINAL: OTHER CHANGESBLOOD: HEMORRHAGE Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 81, Pg. 192, 1875. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3400 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 10, 1974. subcutaneous-mouse LD50 3200 mg/kg Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971. subcutaneous-dog LDLo 2000 mg/kg BLOOD: HEMORRHAGEGASTROINTESTINAL: OTHER CHANGES Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 81, Pg. 192, 1875. | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 8000 ppm/4H Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 10, 1974. inhalation-mammal (species unspecified) LC50 28400 mg/m3 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. inhalation-human TCLo 25 ppm LUNGS, THORAX, OR RESPIRATION: OTHER CHANGESSENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTIONSENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943. | |
| Category: | |||
| cosmetic, flavor and fragrance agents; extraction solvents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for butyl alcohol usage levels up to: | |||
| 0.1000 % 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 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 32.00000 | |
| beverages(nonalcoholic): | - | 12.00000 | |
| beverages(alcoholic): | - | 1.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 7.00000 | |
| fruit ices: | - | 7.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 34.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | 4.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| 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 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 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 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 |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| EPA-Iris:IRIS |
| Daily Med:search |
| 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 GENetic TOXicology:Search |
| EPA Substance Registry Services (TSCA):71-36-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :263 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1120 |
| WGK Germany:1 |
| butan-1-ol |
| Chemidplus:0000071363 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:71-36-3 |
| butan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 71-36-3 |
| Pubchem (cid): | 263 |
| Pubchem (sid): | 134972139 |
| Flavornet: | 71-36-3 |
| 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 |
| Golm Metabolome Database: | Search |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | D03200 |
| HMDB (The Human Metabolome Database): | HMDB04327 |
| FooDB: | FDB012614 |
| YMDB (Yeast Metabolome Database): | YMDB01386 |
| Export Tariff Code: | 2905.13.0000 |
| FDA Listing of Food Additive Status: | View |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| apple fruit Search Trop Picture | |
| apple juice Search PMC Picture | |
| apple plant Search Trop Picture | |
| bay laurel leaf Search Trop Picture | |
| beer Search PMC Picture | |
| bilberry fruit juice Search Trop Picture | |
| blueberry fruit juice Search Trop Picture | |
| butter Search PMC Picture | |
| chamomile garden chamomile plant Search Trop Picture | |
| chamomile roman chamomile oil Search Trop Picture | |
| cheese swiss cheese Search PMC Picture | |
| corn silk Search Trop Picture | |
| currant black currant fruit Search Trop Picture | |
| malus sieversii PbMd Search Trop Picture | |
| orange fruit juice Search Trop Picture | |
| papaya fruit Search Trop Picture | |
| peppermint oil Search Trop Picture | |
| plum fruit Search Trop Picture | |
| strawberry wild strawberry fruit Search Trop Picture | |
| tea Search Trop Picture | |
| tomato Search Trop Picture | |
| watermelon fruit juice Search Trop Picture | |
| wine Search Picture |
| alcohol, N-butyl | |
| butan-1-ol | |
| N- | butan-1-ol |
| butanol | |
| 1- | butanol |
| N- | butanol |
| nat. | butanol |
| butanol natural | |
| N- | butanol natural |
| butanol-1 | |
| butanol, 1- | |
| 1- | butyl alcohol |
| N- | butyl alcohol |
| primary- | butyl alcohol |
| butyl alcohol (butanol) | |
| N- | butyl alcohol FCC |
| N- | butyl alcohol FCC kosher for passover |
| butyl alcohol natural | |
| N- | butyl alcohol natural |
| butyl alcohol normal natural | |
| butyl alcohol normal synthetic | |
| butyl hydroxide | |
| butylalcohol | |
| butyric alcohol | |
| 1- | hydroxybutane |
| methylol propane | |
| primary butyl alcohol | |
| propyl carbinol | |
| N- | propyl carbinol |
| propyl methanol | |
| propylcarbinol | |
| propylmethanol |
