EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-methyl-3-butyn-2-ol
3-butyn-2-ol, 2-methyl-

Supplier Sponsors

Name:2-methylbut-3-yn-2-ol
CAS Number: 115-19-5Picture of molecule3D/inchi
Other(deleted CASRN):140705-79-9
ECHA EINECS - REACH Pre-Reg:204-070-5
FDA UNII: EHB904XHKH
Nikkaji Web:J38.146B
Beilstein Number:0635746
MDL:MFCD00004467
XlogP3:0.30 (est)
Molecular Weight:84.11796000
Formula:C5 H8 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.86100 to 0.86400 @ 20.00 °C.
Pounds per Gallon - (est).: 7.173 to 7.198
Refractive Index:1.42000 to 1.42300 @ 20.00 °C.
Melting Point: 2.00 to 4.00 °C. @ 760.00 mm Hg
Boiling Point: 102.00 to 105.00 °C. @ 760.00 mm Hg
Vapor Pressure:17.184000 mmHg @ 25.00 °C. (est)
Flash Point: 77.00 °F. TCC ( 25.00 °C. )
logP (o/w): 0.280
Soluble in:
 alcohol
 water, 1000000 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BASF
2-Methyl-3-butyn-2-ol
Matrix Scientific
For experimental / research use only.
2-Methylbut-3-yn-2-ol, 95+%
Santa Cruz Biotechnology
For experimental / research use only.
2-Methyl-3-butyn-2-ol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methyl-3-butyn-2-ol 98%
TCI AMERICA
For experimental / research use only.
2-Methyl-3-butyn-2-ol >98.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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 1950 mg/kg
Journal of Pharmacology and Experimental Therapeutics. Vol. 115, Pg. 230, 1955.

oral-mouse LD50 500 mg/kg
LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(4), Pg. 55, 1987.

Dermal Toxicity:
subcutaneous-mouse LD50 1161 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 181, 1956.

Inhalation Toxicity:
inhalation-mouse LC50 2000 mg/m3
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BEHAVIORAL: ATAXIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(4), Pg. 55, 1987.

 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 2-methyl-3-butyn-2-ol usage levels up to:
 not for fragrance use.
 
Recommendation for 2-methyl-3-butyn-2-ol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):115-19-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8258
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
2-methylbut-3-yn-2-ol
Chemidplus:0000115195
EPA/NOAA CAMEO:hazardous materials
RTECS:ES0810000 for cas# 115-19-5
 
References:
 2-methylbut-3-yn-2-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:115-19-5
Pubchem (cid):8258
Pubchem (sid):134974719
 
Other Information:
(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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.29.9000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 but-3-yn-2-ol, 2-methyl-
3-butyn-2-ol, 2-methyl-
 dimethyl acetylenyl carbinol
 dimethyl ethynyl carbinol
1,1-dimethyl propargyl alcohol
 dimethylacetylenylcarbinol
 dimethylethynylcarbinol
1,1-dimethylpropargyl alcohol
2,2-dimethylpropargyl alcohol
2-hydroxy-2-methyl-3-butyne
3-methyl butynol
3-methyl-1-butyn-3-ol
2-methyl-2-butynol
3-methyl-3-hydroxy-1-butyne
2-methyl-but-3-yn-2-ol
2-methylbut-3-yn-2-ol
3-methylbutynol
 

Articles:

PubMed:Novel synthesis of thick wall coatings of titania supported Bi poisoned Pd catalysts and application in selective hydrogenation of acetylene alcohols in capillary microreactors.
PubMed:Fabrication of magnetically recoverable catalysts based on mixtures of Pd and iron oxide nanoparticles for hydrogenation of alkyne alcohols.
PubMed:Reactivity of Cl atom with triple-bonded molecules. An experimental and theoretical study with alcohols.
PubMed:Practical synthesis of aryl-2-methyl-3-butyn-2-ols from aryl bromides via conventional and decarboxylative copper-free Sonogashira coupling reactions.
PubMed:Influence of natural adsorbates of magnesium oxide on its reactivity in basic catalysis.
PubMed:An easily removable stereo-dictating group for enantioselective synthesis of propargylic amines.
PubMed:Detection of estrus in Indian blackbuck: behavioural, hormonal and urinary volatiles evaluation.
PubMed:4,4'-(4,5-dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol): structural variation in vicinal dialkynols.
PubMed:A computational study on the role of chiral N-oxides in enantioselective Pauson-Khand reactions.
PubMed:Structure sensitivity of alkynol hydrogenation on shape- and size-controlled palladium nanocrystals: which sites are most active and selective?
PubMed:A rapid and efficient synthetic route to terminal arylacetylenes by tetrabutylammonium hydroxide- and methanol-catalyzed cleavage of 4-aryl-2-methyl-3-butyn-2-ols.
PubMed:Synthesis of a novel restricted access chiral stationary phase based on atom transfer radical polymerization and click chemistry for the analysis of chiral drugs in biological matrices.
PubMed:Basic reactivity of CaO: investigating active sites under operating conditions.
PubMed:Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase.
PubMed:Ligand accelerated indium(III)-catalyzed asymmetric alkynylation of aldehydes with 2-methyl-3-butyn-2-ol as an ethyne equivalent donor.
PubMed:Synthesis and cytotoxic activity of benzo[a]pyrano[3,2-h] and [2,3-i]xanthone analogues of psorospermine, acronycine, and benzo[a]acronycine.
PubMed:Hydride-alkenylcarbyne to alkenylcarbene transformation in bisphosphine-osmium complexes.
PubMed:Tandem Sonogashira coupling: an efficient tool for the synthesis of diarylalkynes.
PubMed:Regioselective synthesis of 6-alkyl- and 6-prenylpolyhydroxyisoflavones and 6-alkylcoumaronochromone derivatives.
PubMed:One step Pd(0)-catalyzed synthesis, X-ray analysis, and photophysical properties of cyclopent[hi]aceanthrylene: fullerene-like properties in a nonalternant cyclopentafused aromatic hydrocarbon.
PubMed:Synthesis and cytotoxic activity of benzopyranoxanthone analogues of benz.
PubMed:Enantioselective addition of 2-methyl-3-butyn-2-ol to aldehydes: preparation of 3-hydroxy-1-butynes
PubMed:Methylbutynol effectively replaces methylbutenol, a pheromone component ofIps typographus (L.) (Coleoptera: Scolytidae).
PubMed:2-Methyl-3-butyn-2-ol as an acetylene precursor in the Mannich reaction. A new synthesis of suicide inactivators of monoamine oxidase.
 
Notes:
None found
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