| Name: | three-methylbutan-two-ol | | CAS Number: | 598-75-4 |  3D/inchi | | ECHA EINECS - Achieve Pre-Reg: | 209-950-2 | | FDA UNII: | 93FF0F303R | | Nikkaji Web: | J43.343H | | Beilstein Number: | 1718800 | | MDL: | MFCD00004527 | | CoE Number: | 11696 | | XlogP3: | 1.30 (est) | | Molecular Weight: | 88.14984000 | | Formula: | C5 H12 O | | NMR Predictor: | Predict (works with chrome, Edge or firefox) | | EFSA/JECFA Comments: | | JECFA evaluated 3-methyl-2-butanol (CASrn as in Annals). (R)- or (S)- enantiomer not specified by CASrn in Register. | Category:flavoring agents U.s.a. / Eu / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Data: | Google Scholar: | Search | | Google Books: | Search | | Google Scholar: with word "volatile" | Search | | Google Scholar: with give-and-take "flavour" | Search | | Google Scholar: with give-and-take "odor" | Search | | Perfumer and Flavorist: | Search | | Google Patents: | Search | | U.s. Patents: | Search | | European union Patents: | Search | | Pubchem Patents: | Search | | PubMed: | Search | | NCBI: | Search | | JECFA Food Flavoring: | 300 3-methyl-2-butanol | | DG SANTE Food Flavourings: | 02.111 three-methylbutan-2-ol | | FEMA Number: | 3703 three-methyl-2-butanol | | FDA: | No longer provide for the employ of these seven synthetic flavoring substances | | FDA Mainterm (SATF): | 598-75-iv ; 3-METHYL-ii-BUTANOL | Physical Properties: | Appearance: | colorless clear liquid (est) | | Analysis: | 98.00 to 100.00 | | Nutrient Chemicals Codex Listed: | No | | Specific Gravity: | 0.81700 to 0.82400 @ 20.00 °C. | | Pounds per Gallon - (est).: | half-dozen.806 to 6.864 | | Refractive Index: | ane.40600 to 1.41100 @ 20.00 °C. | | Boiling Signal: | 112.00 to 114.00 °C. @ 760.00 mm Hg | | Vapor Force per unit area: | 10.570000 mmHg @ 25.00 °C. (est) | | Flash Indicate: | lxxx.00 °F. TCC ( 26.67 °C. ) | | logP (o/w): | 1.280 | | Shelf Life: | 12.00 month(s) or longer if stored properly. | | Storage: | store in absurd, dry place in tightly sealed containers, protected from heat and light. | | Soluble in: | | alcohol | | water, three.284e+004 mg/L @ 25 °C (est) | | water, v.60E+04 mg/50 @ 25 °C (exp) | Organoleptic Backdrop: | Odor Type: fruity | | Scent Description: fruity | | musty alcoholic fusel vegetable cider cocoa cheesy | Odor Description:at 1.00 %. impacting, musty, alcoholic, fuesl like, with nuances of vegetables, cider, cocoa and cheese
Mosciano, Gerard, (2009) | | Flavour Blazon: fusel | | musty alcoholic fusel vegetable cider cocoa cheesy | Gustation Description: at 10.00 ppm. impacting, musty, alcoholic, fusel like, with nuances of vegetables, cider, cocoa and cheese
Mosciano, Gerard, (2009) | | Odor and/or season descriptions from others (if found). | Cosmetic Information: Suppliers: | Parchem | | 3-methyl-2-butanol | | Penta International | | 3-METHYL-2-BUTANOL | | Santa Cruz Biotechnology | | For experimental / enquiry utilise but. | | 3-Methyl-ii-butanol | | Sigma-Aldrich | | DL-3-Methyl-ii-butanol, ≥98%, FG | | Certified Food Grade Products | | Synerzine | | iii-Methyl-2-butanol | | TCI AMERICA | | For experimental / research apply only. | | 3-Methyl-2-butanol >98.0%(GC) | Prophylactic Information: | Preferred SDS: View | | European information : | | Most important hazard(s): | | Xn - Harmful. | R 10 - Flammable.
R 20 - Harmful past inhalation.
R 37 - Irritating to respiratory system.
South 02 - Keep out of the reach of children.
S 16 - Proceed away from sources of ignition - No Smoking.
S 23 - Do not jiff vapour.
S 24/25 - Avert contact with pare and eyes.
S 26 - In example of contact with eyes, rinse immediately with plenty of h2o and seek medical advice.
S 36/37/39 - Wear suitable habiliment, gloves and heart/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 Nomenclature in accordance with 29 CFR 1910 (OSHA HCS) | | None found. | | GHS Label elements, including precautionary statements | | | Pictogram | | | | Hazard statement(s) | | None found. | | Precautionary argument(s) | | None found. | | Oral/Parenteral Toxicity: | | Non determined | | Dermal Toxicity: | | Not determined | | Inhalation Toxicity: | | Non determined | Safe in Utilise Information: | Category: | | flavoring agents | | Recommendation for 3-methyl-two-butanol usage levels up to: | | non for fragrance use. | | | Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.49 (μg/capita/day) | | Use levels for FEMA GRAS flavoring substances on which the FEMA Good Panel based its judgments that the substances are generally recognized as prophylactic (GRAS). | | The Expert Panel too publishes separate extensive reviews of scientific data on all FEMA GRAS flavoring substances and can exist establish at FEMA Flavor Ingredient Library | | publication number: 13 | | Click here to view publication 13 | | average usual ppm | average maximum ppm | | baked goods: | - | 20.00000 | | beverages(nonalcoholic): | - | 1.00000 | | beverages(alcoholic): | - | 5.00000 | | breakfast cereal: | - | - | | cheese: | - | - | | chewing glue: | - | - | | condiments / relishes: | - | - | | confectionery froastings: | - | - | | egg products: | - | - | | fats / oils: | - | - | | fish products: | - | - | | frozen dairy: | - | 5.00000 | | fruit ices: | - | - | | gelatins / puddings: | - | 5.00000 | | granulated carbohydrate: | - | - | | gravies: | - | - | | hard candy: | - | 10.00000 | | imitation dairy: | - | - | | instant java / tea: | - | - | | jams / jellies: | - | 10.00000 | | meat products: | - | - | | milk products: | - | - | | nut products: | - | - | | other grains: | - | - | | poultry: | - | - | | processed fruits: | - | - | | processed vegetables: | - | - | | reconstituted vegetables: | - | - | | seasonings / flavors: | - | - | | snack foods: | - | - | | soft candy: | - | - | | soups: | - | - | | sugar substitutes: | - | - | | sugariness sauces: | - | - | Condom References: | European Food Rubber Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... | | European Food Rubber Authority (EFSA) reference(s): | Stance of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with nutrient (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-concatenation carboxylic acids from chemical group 5
View page or View pdf | Flavouring Group Evaluation 7, Revision i (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group five (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific stance of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Nutrient (AFC) on a request from the Commission
View page or View pdf | Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical grouping 5
View page or View pdf | | EPI System: View | | AIDS Citations:Search | | Cancer Citations:Search | | Toxicology Citations:Search | | EPA Substance Registry Services (TSCA):598-75-4 | | EPA Role player:Toxicology Data | | EPA Substance Registry Services (SRS):Registry | | Laboratory Chemic Safety Summary :11732 | | National Institute of Allergy and Infectious Diseases:Data | | WISER:Un 1105 | | WGK Germany:1 | | iii-methylbutan-2-ol | | Chemidplus:0000598754 | References: Other Information: | (IUPAC): | Atomic Weights of the Elements 2011 (pdf) | | Videos: | The Periodic Tabular array of Videos | | tgsc: | Diminutive Weights use for this spider 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): | HMDB33777 | | FooDB: | FDB011931 | | YMDB (Yeast Metabolome Database): | YMDB01346 | | Export Tariff Code: | 2905.nineteen.grand | | VCF-Online: | VCF Volatile Compounds in Food | | ChemSpider: | View | | Wikipedia: | View | Potential Blenders and core components annotation | For Scent | | alcoholic | | sec- hexyl alcohol
FL/FR | | iso propyl booze
FL/FR | | ethereal | | 2- methyl-ane-butanol
FL/FR | | fermented | | iso amyl alcohol
FL/FR | | two- pentanol
FL/FR | | fruity | benzaldehyde glycrol acetal
FL/FR | cyclohexyl acetate
FL/FR | ethyl isobutyrate
FL/FR | hexyl propionate
FL/FR | | For Flavour | | No flavor group found for these | | sec- hexyl booze
FL/FR | hexyl propionate
FL/FR | methyl 2-hydroxy-four-methyl valerate
FL | | alcoholic | | alcoholic | | iso propyl booze
FL/FR | | ethereal | ethyl isobutyrate
FL/FR | | 2- methyl-i-butanol
FL/FR | | fruity | benzaldehyde glycrol acetal
FL/FR | | fusel | | iso amyl alcohol
FL/FR | | musty | | 2- pentanol
FL/FR | | solvent | cyclohexyl acetate
FL/FR | Potential Uses: Occurrence (nature, food, other):note | apple fruit
Search PMC Picture | | celery
Search Trop Motion-picture show | | cheese gruyere cheese
Search PMC Motion-picture show | | cheese swiss cheese
Search PMC Picture | | cider
Search PMC Picture | | cocoa
Search Trop Picture show | | elder fruit juice
Search Trop Picture | | grape
Search Trop Picture show | | honey
Search PMC Picture | | orange fruit juice
Search Trop Picture | | plum fruit
Search Trop Flick | | soybean
Search Trop Picture | | strawberry wild strawberry fruit
Search Trop Picture | | vino
Search Picture | Synonyms: | sec-iso | amyl booze | | butan-ii-ol, 3-methyl- | | 2- | butanol, 3-methyl- | | 1,ii- | dimethyl-1-propanol | | ane,i- | dimethyl-two-propanol | | 1,2- | dimethylpropanol | | 3- | methyl butan-2-ol | | methyl isopropyl carbinol | | DL-iii- | methyl-ii-butanol | | dextro,laevo-iii- | methyl-2-butanol | | ii- | methyl-three-butanol | | three- | methylbutan-2-ol | | methylisopropylcarbinol | | (±)-iso | propyl methyl carbinol | | iso | propyl methyl carbinol | | iso | propylmethylcarbinol | | secondary isoamyl alcohol | Articles: | PubMed:Premicellar interaction of PEO-PPO-PEO triblock copolymers with partially hydrophobic alcohols: NMR study. | | PubMed:Kinetic study of the gas phase reactions of a series of alcohols with the NO3 radical. | | PubMed:Synthesis of brusk-chain diols and unsaturated alcohols from secondary alcohol substrates by the Rieske nonheme mononuclear atomic number 26 oxygenase MdpJ. | | PubMed:Intensely luminescent homoleptic alkynyl decanuclear gold(I) clusters and their cationic octanuclear phosphine derivatives. | | PubMed:Microbial ethanol product: experimental study and multivariate evaluation. | | PubMed:The in-situ solid-state NMR spectroscopy investigation of alcoholic lactose suspensions. | | PubMed:Spectroscopic identification of amyl alcohol hydrates through free OH observation. | | PubMed:Relative and absolute kinetic studies of 2-butanol and related alcohols with tropospheric Cl atoms. | | PubMed:Isotope effects on the unimolecular dissociation of ionized 3-methyl-2-butanol: reactions via a long-lived C-H-C hydrogen-bridged ion-neutral complex. | | PubMed:Theoretical study of the stereoselective additions of chiral alcohols to ketenes. | | PubMed:Volatile metabolites produced by three strains of Stachybotrys chartarum cultivated on rice and gypsum board. | | PubMed:Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase. | | PubMed:Size as a parameter for solvent effects on Candida antarctica lipase B enantioselectivity. | | PubMed:Enantioseparation of chiral amino acids equally the North(O,S)-ethoxycarbonylated diastereomeric esters past achiral dual-capillary column gas chromatography. | | PubMed:Determination of selected microbial volatile organic compounds past diffusive sampling and dual-column capillary GC-FID--a new viable approach for the detection of an exposure to indoor mould fungi? | | PubMed:Rational pattern of enantioselective enzymes requires considerations of entropy. | | PubMed:Free and bound volatile composition and characterization of some glucoconjugates as odour precursors in melón de olor fruit pulp (Sicana odorifera). | | PubMed:Enantioselectivity in Candida antarctica lipase B: a molecular dynamics study. | | PubMed:Reactions of hydroxyl radicals with alkenes in low-temperature matrices. | | PubMed:Molecular modeling of the enantioselectivity in lipase-catalyzed transesterification reactions. | | PubMed:[Metabolism and toxicity of due north-pentane and isopentane]. | | PubMed:Aflatoxin product in cultures of Aspergillus flavus incubated in atmospheres containing selected cotton leaf-derived volatiles. | | PubMed:Stereospecific oxidation of secondary alcohols by human alcohol dehydrogenases. | | PubMed:[A micro method for the determination of the configuration of histidine in peptides: evidence for partial racemization during peptide synthesis (writer's transl)]. | | PubMed:Chromatographic separation of diastereoisomeric esters-Ii Mandelates and lactates of 2-methylbutanol-one, 3-methylbutanol-2, pentanol-ii and hexanol-2. | | PubMed:[Pharmacological written report of two-(2,4-dimethoxyphenyl)-iii-methyl-2-butanol]. | | PubMed:[Determination of 3-methyl-two-butanol and 3-pentanol in the products of booze fermentation]. | |
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