2-Methyl-3-butyn-2-ol
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Basic information
- CAS
115-19-5- Standard SMILES
C#CC(C)(C)O- InChIKey
CEBKHWWANWSNTI-UHFFFAOYSA-N- Molecular formula
- C5H8O
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.05751488
Overview
2-methyl-2-hydroxy-3-butyne is a colorless to straw yellow liquid. (USCG, 1999)
Names & identifiers
- Preferred name
- 2-Methyl-3-butyn-2-ol
- IUPAC
- 2-methylbut-3-yn-2-ol
- English name
- 3-Methyl butynol
- Molecular formula
- C5H8O
- Molecular weight
- 84.12
Names & synonyms
2-METHYL-3-BUTYN-2-OL115-19-52-Methylbut-3-yn-2-ol3-Butyn-2-ol, 2-methyl-2-Methyl-2-butynolEthynyldimethylcarbinolCarbavaneDimethylethynylcarbinolDimethylethynylmethanol2-Hydroxy-2-methyl-3-butyneDimethylacetylenecarbinolDimethylacetylenylcarbinol
Show more names
MBYMethyl butynol2-Methyl-3-Butyne-2-OlAB-322-MethylbutynolMethylbutylenol
1,1-Dimethylpropargyl alcoholDTXSID2021949EHB904XHKHNSC-523DTXCID701949RefChem:88076204-070-53-Methyl-1-butyn-3-ol
Database identifiers
- CAS
115-19-5- PubChem CID
- 8258
- DTXSID
DTXSID2021949- ChEMBL
CHEMBL3185871- UNII
- EHB904XHKH
- EC Number
- 204-070-5
- Nikkaji
- J38.146B
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 83.4
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesBoiling point
LogP
0.318
0.28
Density
0.8672 (USCG, 1999) - Less dense than water; will float
Density (gas): 0.9 kg/m³
Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.04
SolubilitySolubility in water: miscible
Flash Point
77 °F (USCG, 1999)
20 °C c.c.
Boiling Point
219.2 to 221 °F at 760 mmHg (USCG, 1999)
104-105 °C
Melting Point
36.7 °F (USCG, 1999)
2.6 °C
Vapor DensityRelative vapor density (air = 1): 2.9
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.8% (24 of 500) of reports.
Danger
H225 (62.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 500 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: 3-Butyn-2-ol, 2-methyl-
Status: Active Update: 18-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12665
3-Butyn-2-ol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-Butyn-2-ol, 2-methyl-: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards
Special Hazards of Combustion Products: Irritating and toxic gases, such as carbon dioxide and carbon monoxide, may be produced in fire. (USCG, 1999)
Highly flammable. Vapour/air mixtures are explosive. Risk of explosion on contact with copper.
Health HazardsContact will cause eye and skin irritation. Vapor exposure may cause eye and respiratory tract irritation. (USCG, 1999)
Chemistry & industry
Uses & manufacturing
Uses
Has been used as a pheromone substitute in beetle control; [REPROTOX] Used as an intermediate, laboratory reagent, and in wood treatment; [ECHA REACH Registrations]
Applying Wood Preservatives [Category: Other]
General Manufacturing Information3-Butyn-2-ol, 2-methyl-: ACTIVE
Applications
UsesStabilizer in chlorinated solvents, viscosity reducer and stabilizer, electroplating brightener, intermediate.
Uses2-Methyl-3-butyn-2-ol is used as an intermediate in the manufacture of products for the agrochemical and specialty chemical industry.
General DescriptionColorless to straw yellow liquid.
Preparation methods
Preparation3-Methyl butynol is produced from Acetone and Acetylene in liquid Ammonia with Sodamide (or in Cellosolve with Potassium hydroxide). The process yields Methylbutynol which can be hydrogenated to Methylbutenol.
Upstream & downstream products
Upstream raw materials
Related reactions
483 records
Compound notes
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