1,4-丁炔二醇

Description

Butyne-1,4-diol · CAS 54141-09-2 · C4H6O2. UNII AXH202FPQM. Boiling Point: 460 °F at 760 mmHg (USCG, 1999); Boiling Point: 238 °C; Boiling Point: 238 °C @760 [mm Hg].

Identification

CAS Registry Number	54141-09-2
PubChem CID	8066
Molecular formula	C4H6O2
IUPAC name	but-2-yne-1,4-diol
UNII (FDA)	AXH202FPQM

Computed Descriptors

Molecular Weight	86.09
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	86.036779430
Monoisotopic Mass	86.036779430
Topological Polar Surface Area	40.5
Heavy Atom Count	6
Formal Charge	0

Physical & Chemical Properties

Boiling Point	460 °F at 760 mmHg (USCG, 1999)
Boiling Point	238 °C
Boiling Point	238 °C @760 [mm Hg]
Melting Point	50 °C
Melting Point	58 °C
Flash Point	263 °F (USCG, 1999)
Flash Point	128 °C
Flash Point	152 °C
Solubility	In water, 3.74X10+6 mg/L at 25 °C
Density	1.115 @ 20°C

Physical description & handling notes

• 1,4-butynediol appears as white to light-brown solid or brownish-yellow aqueous solution. Solid sinks and mixes with water. (USCG, 1999)
• Liquid; Liquid; Other Solid; Other Solid
• White to yellow solid; [HSDB] Yellow or amber colored chips or chunks; [MSDSonline]
• YELLOW SOLID IN VARIOUS FORMS.
• Plates from benzene and ethyl acetate
• White, orthorhombic crystals

GHS Hazard Classification

Reported hazard statements	H301, H312, H314, H317, H331, H373, H311 (48.9%), H318 (45.2%)

Documented Uses

• Used to produce flame retardants and other chemicals; Also used as a corrosion inhibitor, pickling agent, paint remover, cleansing agent, descaling agent, electroplating brightener, defoliant, polymerization accelerator, and stabilizer for chlorinated hydrocarbons; [HSDB]
• Electroplating [Category: Plate]
• Intermediate; corrosion inhibitor; electroplating brightener; defoliant /SRP: Not registered for USE in USA/; polymerization accelerator; stabilizer for chlorinated hydrocarbons; cosolvent for paint and varnish removal.
• The synthesis 2-butyne-1,4-diol ... is carried out by reaction under pressure of acetylene and an aqueous solution of formaldehyde, catalyzed by copper acetylide.
• < 0.5% water; 1% butane-1,4-diol
• 2023: 100,000,000 - <500,000,000 lb

Synonyms

2-Butyne-1,4-diol; 110-65-6; But-2-yne-1,4-diol; Butynediol; 1,4-Dihydroxy-2-butyne; 1,4-BUTYNEDIOL; Bis(hydroxymethyl)acetylene; 2-Butynediol; Agrisynth B3D; 2-Butin-1,4-diol; DTXSID4021921; 1,4-Butinodiol; Butynediol-1,4; AXH202FPQM; NSC-834; 2-Butin-1,4-diol [Czechoslovakia]

Frequently Asked Questions

What are the CAS number and molecular formula of Butyne-1,4-diol?

CAS 54141-09-2; molecular formula C4H6O2; molecular weight — g/mol.

What other names is Butyne-1,4-diol known by?

2-Butyne-1,4-diol, 110-65-6, But-2-yne-1,4-diol, Butynediol, 1,4-Dihydroxy-2-butyne, 1,4-BUTYNEDIOL.

Is Butyne-1,4-diol classified as hazardous?

Hazard statements reported: H301, H312, H314, H317, H331.

What are the key physical properties of Butyne-1,4-diol?

Boiling Point: 460 °F at 760 mmHg (USCG, 1999); Boiling Point: 238 °C; Boiling Point: 238 °C @760 [mm Hg]; Melting Point: 50 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.