2-methyl-3-buten-2-ol

3-buten-2-ol, 2-methyl-

CAS: 115-18-4 C5 H10 O MW: 86.13390000 herbal

Identification

Name2-methyl-3-buten-2-ol
IUPAC2-methylbut-3-en-2-ol
CAS Number115-18-4
EINECS204-068-4
FDA UNIISH64HE46L9
Molecular FormulaC5 H10 O
Molecular Weight86.13390000
MDL NumberMFCD00004470
Nikkaji NumberJ65.753K
Beilstein1698263
CoE Number11794

Regulatory

DG SANTE Food Flavourings02.123 2-methylbut-3-en-2-ol
FDA Mainterm (SATF)115-18-4 ; 2-METHYL-3-BUTEN-2-OL
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.81800 to 0.82700 @ 25.00 °C.
Pounds per Gallon - (est). 6.807 to 6.881
Refractive Index 1.41300 to 1.41900 @ 20.00 °C.
Melting Point -28.00 °C. @ 760.00 mm Hg
Boiling Point 97.00 to 99.00 °C. @ 760.00 mm Hg
Vapor Pressure 22.938999 mmHg @ 25.00 °C. (est)
Flash Point 56.00 °F. TCC ( 13.33 °C. )
logP (o/w) 0.892 (est)
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Description at 10.00 % in dipropylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 1800 mg/kg
Dermal Toxicitysubcutaneous-mouse LD50 1680 mg/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 2-methyl-3-buten-2-ol usage levels up to0.0500 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)3900 (μg/person/day)
Threshold of Concern540 (μg/person/day)
Structure ClassII
Dairy products, excluding products of category 02.0 (01.0)7.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)5.00000
Edible ices, including sherbet and sorbet (03.0)10.00000
Processed fruit (04.1)7.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)10.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)5.00000
Bakery wares (07.0)10.00000
Meat and meat products, including poultry and game (08.0)2.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)2.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)5.00000
Foodstuffs intended for particular nutritional uses (13.0)10.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)5.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)10.00000
Ready-to-eat savouries (15.0)20.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)5.00000

BOC Sciences

Best of Chemicals Supplier

Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...

View All Website 1-631-485-4226 account@bocsci.com

Penta International Corporation

Chemistry innovation

At Penta, our products and services help businesses do business better.

View All Website (973) 740-2300 lisaa@pentamfg.com

Sigma-Aldrich

Complete Supply Chain

The perfect blend of products and services that bring your creativity to life.

View All Website 800-244-1173 ff@sial.com

Synerzine, Inc.

Innovation. Customization. Aroma Ingredients.

Synerzine is a leading supplier of flavor and fragrance ingredients.

View All Website (404) 524-6744 info@synerzine.com

TCI AMERICA

Moving Your Chemistry Forward

We continuously strive to advance our technology.

View All Website 1-800-423-8616 Sales-US@TCIchemicals.com;

Potential Uses

FR earth FR herbal

Natural Occurrence

bilberry fruit - 0.05 mg/kg cabbage - trace ammount cardamom - trace ammount cherimoya - up to 0.05 mg/kg coffee - up to 2.5 mg/kg PMC cranberry fruit - 0.1 mg/kg currant black currant fruit - 0.6 mg/kg hop lavender oil lemon verbena oil turkey @ 0.10% Data mango fruit - 3.3 mg/kg milk powdered milk - 0.003 mg/kg PMC papaya fruit - 0.002 mg/kg passion fruit - up to 0.1 mg/kg tea - 1 mg/kg ylang ylang oil ylang ylang oil @ 0.07% Data ylang ylang oil CO2 extract @ 0.18% Data

Synonyms

but-3-en-2-ol, 2-methyl- 3- buten-2-ol, 2-methyl- buten-3-ol, 3-methyl- 1- buten-3-ol, 3-methyl- carbavane dimethylacetylenecarbinol 1,1- dimethylallyl alcohol a,a- dimethylallyl alcohol 1,1- dimethylpropynol dimethylvinylcarbinol dimethylvinylmethanol 3- hydroxy-3-methyl butene 3- hydroxy-3-methyl-1-butene 3- hydroxy-3-methylbutene 2- methyl but-3-en-2-ol 3- methyl-1-buten-3-ol 2- methyl-2-hydroxy-3-butene 2- methyl-3-buten-2-yl alcohol 2- methyl-3-butenol 2- methylbut-3-en-2-ol iso prenyl alcohol vinyl dimethyl carbinol vinyldimethylcarbinol Info: Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.) PubMed: Organosulfate and Nitrate Formation and Reactivity from Epoxides Derived from 2-Methyl-3-buten-2-ol. PubMed: 2-Methyl-3-buten-2-ol (MBO) synthase expression in Nostoc punctiforme leads to over production of phytols. PubMed: Fabrication of magnetically recoverable catalysts based on mixtures of Pd and iron oxide nanoparticles for hydrogenation of alkyne alcohols. PubMed: Observations and models of emissions of volatile terpenoid compounds from needles of ponderosa pine trees growing in situ: control by light, temperature and stomatal conductance. PubMed: Secondary Organic Aerosol Formation via 2-Methyl-3-buten-2-ol Photooxidation: Evidence of Acid-Catalyzed Reactive Uptake of Epoxides. PubMed: Engineering an isoprenoid pathway in Escherichia coli for production of 2-methyl-3-buten-2-ol: a potential biofuel. PubMed: Analysis and sensory evaluation of jostaberry (Ribes x nidigrolaria Bauer) volatiles. PubMed: Emissions of putative isoprene oxidation products from mango branches under abiotic stress. PubMed: Molecular simulations of green leaf volatiles and atmospheric oxidants on air/water interfaces. PubMed: Monolithic poly (SPE-co-BVPE) capillary columns as a novel hydrophilic interaction liquid chromatography stationary phase for the separation of polar analytes. PubMed: The sedative effects of hops (Humulus lupulus), a component of beer, on the activity/rest rhythm. PubMed: Organosulfates as tracers for secondary organic aerosol (SOA) formation from 2-methyl-3-buten-2-ol (MBO) in the atmosphere. PubMed: The sedative effect of non-alcoholic beer in healthy female nurses. PubMed: Bacterial degradation of tert-amyl alcohol proceeds via hemiterpene 2-methyl-3-buten-2-ol by employing the tertiary alcohol desaturase function of the Rieske nonheme mononuclear iron oxygenase MdpJ. PubMed: Quenching of the triplet state of Safranine-O by aliphatic amines in AOT reverse micelles studied by transient absorption spectroscopy. PubMed: Palladium-catalyzed mono-N-allylation of unprotected anthranilic acids with allylic alcohols in aqueous media. PubMed: Determination and stability of CP-31398 in plasma from experimental animals by LC-MS/MS. PubMed: Attraction modulated by spacing of pheromone components and anti-attractants in a bark beetle and a moth. PubMed: Structure sensitivity of alkynol hydrogenation on shape- and size-controlled palladium nanocrystals: which sites are most active and selective? PubMed: Encecalol angelate, an unstable chromene from Ageratum conyzoides L.: total synthesis and investigation of its antiprotozoal activity. PubMed: Host resistance elicited by methyl jasmonate reduces emission of aggregation pheromones by the spruce bark beetle, Ips typographus. PubMed: Biochemical characterization and homology modeling of methylbutenol synthase and implications for understanding hemiterpene synthase evolution in plants. PubMed: A free-energy perturbation method based on Monte Carlo simulations using quantum mechanical calculations (QM/MC/FEP method): application to highly solvent-dependent reactions. PubMed: The uptake of 2-methyl-3-buten-2-ol into aqueous mixed solutions of sulfuric acid and hydrogen peroxide. PubMed: Preparation of glutathione imprinted polymer. PubMed: Identification and field activity of a male-produced aggregation pheromone in the pine sawyer beetle, Monochamus galloprovincialis. PubMed: Kinetics and mechanism of chlorine-atom-initiated oxidation of allyl alcohol, 3-buten-2-ol, and 2-methyl-3-buten-2-ol. PubMed: Fragrance material review on 2-methyl-3-buten-2-ol. PubMed: Isomer-selective study of the OH initiated oxidation of isoprene in the presence of O(2) and NO. I. The minor inner OH-addition channel. PubMed: Photooxidation of 2-methyl-3-Buten-2-ol (MBO) as a potential source of secondary organic aerosol. PubMed: Aggregation pheromone of the Qinghai spruce bark beetle, Ips nitidus eggers. PubMed: Specificity and redundancy in the olfactory system of the bark beetle Ips typographus: single-cell responses to ecologically relevant odors. PubMed: Metasternal gland volatiles and sexual communication in the triatomine bug, Rhodnius prolixus. PubMed: Electrophysiological and behavioral responses of Ips duplicatus to aggregation pheromone in Inner Mongolia, China: amitinol as a potential pheromone component. PubMed: Experimental and theoretical studies of the kinetics of the reactions of OH and OD with 2-methyl-3-buten-2-ol between 300 and 415 K at low pressure. PubMed: Peroxy and alkoxy radicals from 2-methyl-3-buten-2-ol. PubMed: Enhanced enzyme activity and enantioselectivity of lipases in organic solvents by crown ethers and cyclodextrins. PubMed: Preparation of detergent-lipase complexes utilizing water-soluble amphiphiles in single aqueous phase and catalysis of transesterifications in homogeneous organic solvents. PubMed: Enhancement of enzyme activity and enantioselectivity by cyclopentyl methyl ether in the transesterification catalyzed by Pseudomonas cepacia lipase co-lyophilized with cyclodextrins. PubMed: CYP 17 and CYP 19 inhibitors. Evaluation of fluorine effects on the inhibiting activity of regioselectively fluorinated 1-(Naphthalen-2-ylmethyl)imidazoles. PubMed: Hydroxyaldehyde products from hydroxyl radical reactions of Z-3-hexen-1-ol and 2-methyl-3-buten-2-ol quantified by SPME and API-MS. PubMed: Chemical composition of the essential oils of two Rhodiola species from Tibet. PubMed: Field response of Ips paraconfusus, Dendroctonus brevicomis, and their predators to 2-methyl-3-buten-2-ol, a novel alcohol emitted by ponderosa pine. PubMed: Ion trap mass spectrometry affords advances in the analytical and atmospheric chemistry of 2-hydroxy-2-methylpropanal, a proposed photooxidation product of 2-methyl-3-buten-2-Ol. PubMed: Dose-dependent response and preliminary observations on attraction range of Ips typographus to pheromones at low release rates. PubMed: Volatile components in aqueous essence and fresh fruit of Cucumis melo cv. Athena (muskmelon) by GC-MS and GC-O. PubMed: Biosynthesis of 2-methyl-3-buten-2-ol emitted from needles of Pinus ponderosa via the non-mevalonate DOXP/MEP pathway of isoprenoid formation. PubMed: Canopy level fluxes of 2-methyl-3-buten-2-ol, acetone, and methanol by a portable relaxed eddy accumulation system. PubMed: Enzymatic synthesis of methylbutenol from dimethylallyl diphosphate in needles of Pinus sabiniana. PubMed: A novel efficient enzyme-immobilization reaction on NH2 polymers by means of L-ascorbic acid. PubMed: Characterization of a Pseudomonas putida allylic alcohol dehydrogenase induced by growth on 2-methyl-3-buten-2-ol. PubMed: Murine cytochrome P4503A is induced by 2-methyl-3-buten-2-ol, 3-methyl-1-pentyn-3-ol(meparfynol), and tert-amyl alcohol. PubMed: 1H NMR spin-echo spectroscopy of human erythrocytes. Transformation of exogenous compounds. PubMed: Volatiles released from individual spruce bark beetle entrance holes Quantitative variations during the first week of attack. PubMed: Inhibition of attraction to aggregation pheromone by verbenone and ipsenol : Density regulation mechanisms in bark beetleIps typographus. PubMed: Individual variation in aggregation pheromone content of the bark beetle,Ips typographus. PubMed: Methylbutynol effectively replaces methylbutenol, a pheromone component ofIps typographus (L.) (Coleoptera: Scolytidae). PubMed: Attraction to pheromone sources of different quantity, quality, and spacing: Density-regulation mechanisms in bark beetleIps typographus. PubMed: Field response of spruce bark beetle,Ips typographus, to aggregation pheromone candidates. PubMed: Quantitative variation of pheromone components in the spruce bark beetleIps typographus from different attack phases. PubMed: [The sedative-hypnotic action of hops. 4. Pharmacology of the hop substance 2-methyl-3-buten-2-ol]. PubMed: [Detection of sedative-hypnotic active ingredients in hops. 5. Degradation of bitter acids to 2-methyl-3-buten-2-ol, a hop constituent with sedative-hypnotic activity]. PubMed: Antimalarials. 11. 2-Vinylogs of substituted 2-aryl-4-quinoline amino alcohols. PubMed: The chemical structure of pemptoporphyrin.