137561

3-Methyl-1-pentyn-3-ol

98%

• Synonym(s): Ethyl ethynyl methyl carbinol, Meparfynol
• Linear Formula: CH≡CC(OH)(CH₃)CH₂CH₃
• CAS Number: 77-75-8
• Molecular Weight: 98.14
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24848336
• EC Number: 201-055-5
• Beilstein/REAXYS Number: 969340
• MDL number: MFCD00004479
• Assay: 98%
• Form: liquid

Properties

• vapor density: 3 (vs air)
• Quality Segment: 100
• vapor pressure: 6.5 mmHg ( 20 °C)
• assay: 98%
• form: liquid
• refractive index: n20/D 1.431 (lit.)
• bp: 121-122 °C (lit.)
• solubility: Cellosolve: miscible, Stoddard solvent: miscible, acetone: miscible, benzene: miscible, carbon tetrachloride: miscible, cyclohexanone: miscible, diethyl ether: soluble, diethylene glycol: miscible, ethanolamine: miscible, ethyl acetate: miscible, kerosene: miscible, mineral spirits: miscible, neatsfoot oil: miscible, petroleum ether: miscible, soybean oil: miscible
• density: 0.866 g/mL at 25 °C (lit.)
• functional group: hydroxyl
• SMILES string: CCC(C)(O)C#C
• InChI: 1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3
• InChI key: QXLPXWSKPNOQLE-UHFFFAOYSA-N

Description

General description

3-Methyl-1-pentyn-3-ol acts as initiator during the synthesis of propargyl-terminated polylactide by bulk ring-opening polymerization.

Application

3-Methyl-1-pentyn-3-ol is propargyl alcohol that can be used as:

• A reactant to synthesize α-methylene cyclic carbonates by reacting with carbon dioxide.
• A reactant in the synthesis of 2,6,9-trisubstituted purine based CDK inhibitors.
• An initiator in the synthesis of polylactide bearing terminal propargyl group via ring-opening polymerization of L-lactide.

Biochem/physiol Actions

3-Methyl-1-pentyn-3-ol is a sedative and induces hepatic P4503A in mouse.

Safety Information

• pictograms: GHS02,GHS05,GHS07
• signalword: Danger
• hcodes: H226,H302,H318,H412
• pcodes: P210 - P233 - P273 - P280 - P301 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk: WGK 2
• flash_point_f: 82.4 °F - closed cup
• flash_point_c: 28 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter