| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 137-32-6 |
| ECHA EC Number: | 205-289-9 |
| FDA UNII: | 7VTJ239ASU |
| CoE Number: | 2346 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | 2-methyl-1-butanol |
| InChI : | InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3 |
| Std.InChI: | InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3 |
| InChIKey : | QPRQEDXDYOZYLA-UHFFFAOYAW |
| Std.InChIKey: | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| SMILES : | CCC(C)CO |
| MDL: | MFCD00004743 |
| Molar Refractivity : | 26.70 ± 0.3 cm3 (est) |
| Parachor : | 245.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.405 ± 0.02 (est) |
| Surface Tension : | 25.6 ± 3.0 dyne/cm (est) |
| Density : | 0.809 ± 0.06 g/cm3 (est) |
| Polarizability : | 10.58 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1199 (+/-)-2-methyl-1-butanol |
| DG SANTE Food Flavourings: | 02.076 2-methylbutan-1-ol |
| FEMA Number: | 3998 (+/-)-2-methyl-1-butanol |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 137-32-6 ; 2-METHYL-1-BUTANOL |
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00 sum of isomers |
| Additional Assay Information: | racemate |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.81500 to 0.82000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 6.782 to 6.823 |
| Refractive Index: | 1.40900 to 1.41200 @ 20.00 °C. |
| Boiling Point: | 128.00 to 130.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 4.760000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 3.0 ( Air = 1 ) |
| Flash Point: | 110.00 °F. TCC ( 43.33 °C. ) |
| logP (o/w): | 1.290 |
| Soluble in: | |
| alcohol | |
| water, 3.22e+004 mg/L @ 25 °C (est) | |
| water, 2.97E+04 mg/L @ 25 °C (exp) | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| 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 16 - Keep away from sources of ignition - No Smoking. 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 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: | |
| parenteral-frog LDLo 2448 mg/kg PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGEBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 50, Pg. 296, 1935. intraperitoneal-rat LDLo 1900 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3540 ul/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 2-methyl-1-butanol usage levels up to: | |||
| 1.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.73 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 35.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| 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: 20. Update in publication number(s): 29 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 2.00000 | 9.00000 | |
| beverages(nonalcoholic): | 0.10000 | 2.00000 | |
| beverages(alcoholic): | 400.00000 | 1100.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 2.00000 | 15.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.30000 | 2.00000 | |
| egg products: | 0.30000 | 2.00000 | |
| fats / oils: | 0.50000 | 15.00000 | |
| fish products: | - | - | |
| frozen dairy: | 1.50000 | 8.00000 | |
| fruit ices: | 0.80000 | 5.00000 | |
| gelatins / puddings: | 0.20000 | 2.00000 | |
| granulated sugar: | - | - | |
| gravies: | 0.30000 | 2.50000 | |
| hard candy: | 0.30000 | 3.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.10000 | 1.00000 | |
| jams / jellies: | 0.40000 | 4.00000 | |
| meat products: | - | - | |
| milk products: | 0.10000 | 1.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.30000 | 2.50000 | |
| snack foods: | 0.40000 | 4.00000 | |
| soft candy: | 0.40000 | 4.00000 | |
| soups: | 0.20000 | 2.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| 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 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 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 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) 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 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 Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3 View page or View pdf |
| EPI System: View |
| NIOSH International Chemical Safety Cards:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):137-32-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8723 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1105 |
| WGK Germany:1 |
| 2-methylbutan-1-ol |
| Chemidplus:0000137326 |
| RTECS:137-32-6 |
| Leffingwell: | Chirality or Article |
| 2-methylbutan-1-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 137-32-6 |
| Pubchem (cid): | 8723 |
| Pubchem (sid): | 134973580 |
| Flavornet: | 137-32-6 |
| 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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB012107 |
| YMDB (Yeast Metabolome Database): | YMDB00567 |
| Export Tariff Code: | 2905.19.9090 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: exists in commerce largely as d-amyl alcohol. | |
| FL | tropical |
| bean black bean stem oil Search Trop Picture | |
| bean field bean stem oil Search Trop Picture | |
| bilberry fruit juice Search Trop Picture | |
| champaca concrete @ 0.01% Data GC Search Trop Picture | |
| corn silk Search Trop Picture | |
| eriocephalus punctulatus oil @ 0.50% Data GC Search Trop Picture | |
| kohlrabi stem Search Trop Picture | |
| mushroom giant puffball mushroom Search PMC Picture | |
| pepper bell pepper fruit Search Trop Picture | |
| plum fruit Search Trop Picture | |
| spearmint oil Search Trop Picture | |
| truffle Search Picture |
| butan-1-ol, 2-methyl- | |
| 1- | butanol, 2-methyl- |
| 1- | butanol, 2-methyl-, (±)- |
| di-sec-butyl carbinol | |
| 2- | methyl butan-1-ol |
| 2- | methyl butanol |
| 2- | methyl butyl alcohol |
| 2- | methyl butyl alcohol natural |
| (+/-)-2- | methyl-1-butanol |
| DL-2- | methyl-1-butanol |
| 2- | methyl-1-butanol natural |
| methyl-2-butan-1-ol | |
| methyl-2-butanol-1 | |
| 2- | methyl-N-butanol |
| (1)-2- | methylbutan-1-ol |
| 2- | methylbutan-1-ol |
| 2- | methylbutanol |
| nat.L-2- | methylbutanol |
| 2- | methylbutyl alcohol |
