2-Butyne-1,4-Diol - Materials / Alfa Chemistry

NAVIGATION

2-Butyne-1,4-Diol

PRICE INQUIRY

Catalog Number

ACMA00017285

Product Name

2-Butyne-1,4-Diol

Category

Polymers

Description

1,4-butynediol appears as white to light-brown solid or brownish-yellow aqueous solution. Solid sinks and mixes with water. (USCG, 1999);Liquid; OtherSolid; OtherSolid, Liquid;YELLOW SOLID IN VARIOUS FORMS.

IUPAC Name

but-2-yne-1,4-diol

Molecular Weight

86.09g/mol

Molecular Formula

C4H6O2;OHCH2CCCH₂OH;C4H6O2;C4H6O2

Canonical SMILES

C(C#CCO)O

InChI

InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2

InChI Key

DLDJFQGPPSQZKI-UHFFFAOYSA-N

Boiling Point

460 °F at 760 mm Hg (USCG, 1999);238.0 °C;238 °C;No boiling point at normal pressure; decomposes at >160 °C

Melting Point

50.0 °C;50 °C;58 °C

Flash Point

263 °F (USCG, 1999);263 °F (OPEN CUP);152 °C

Density

1.07 at 68 °F (USCG, 1999);Relative density = 1.115 at 20 °C;Relative density (water = 1): 1.1

Solubility

4.34 M;Insoluble in benzene; slightly soluble in ethyl ether, choroform; very soluble in ethanol, acetone, methanol;Soluble in aqueous acids.;In water, 3.74X10+6 mg/L at 25 °C;Solubility in water, g/100ml at 20 °C: 75 (good)

Application

2-Butyne-1,4-diol is a versatile yellow solid compound known for its solubility in water, acidic solutions, ethanol, and acetone, while being slightly soluble in chloroform and insoluble in benzene and ether. It serves as a valuable precursor in the synthesis of 1,4-butanediol, 2-butene-1,4-diol, and mucochloric acid. Widely used in various industries, 2-Butyne-1,4-diol is integral to the production of textile additives, corrosion inhibitors, plasticizers, synthetic resins, and polyurethanes. Moreover, it plays a significant role in the manufacture of vitamin B6 and finds application in enhancing, preserving, and inhibiting nickel plating processes. In biological research, it is utilized for examining nematocidal activity. Additionally, it functions as a basic brightener in nickel electroplating baths, a stabilizer for chlorinated hydrocarbons, a polymerization accelerator, and a co-solvent for paint and varnish removal, while also being involved in the production of the herbicide Barban.

Color/Form

Plates from benzene and ethyl acetate;White, orthorhombic crystals;WHITE TO LIGHT YELLOW;Yellow scaley solid at 20 °C and 1,013 hPa

Complexity

Covalently-Bonded Unit Count

EC Number

203-788-6

Exact Mass

86.036779g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1733

Log P

log Kow = -0.93 (est);-0.73

MeSH Entry Terms

2-butin-1,4-diol;2-butyne-1,4-diol

Monoisotopic Mass

86.036779g/mol

NSC Number

834

Other Experimental

SOLN IS STRAW TO AMBER COLOR;Henry's Law constant = 1.684X10-11 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.38X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Iindex of refraction: 1.4804 at 20 °C/D

Rotatable Bond Count

RTECS Number

ES0525000

UNII

AXH202FPQM

UN Number

2716;2716;2716;2716

Vapor Density

Relative vapor density (air = 1): 3.0

Vapor Pressure