ChemicalBook CAS DataBase List 110-65-6

110-65-6

Name	2-Butyne-1,4-diol
CAS	110-65-6
EINECS(EC#)	203-788-6
Molecular Formula	C4H6O2
MDL Number	MFCD01075157
Molecular Weight	86.09
MOL File	110-65-6.mol

Synonyms

1,2-DIHYDROXYDIMETHYLACETYLENE 1,4-BUTYNEDIOL 1,4-DIHYDROXY-2-BUTYNE 2-BUTYNE-1,4-DIOL 1,4-butinodiol 1,4-Dimethoxyacetylene 2-Butin-1,4-diol 2-butin-1,4-diol(czechoslovakia) 2-Butine-1,4-diol 2-Butynediol agrisynthb3d Bis(hydroxymethyl)acetylene But-2-yne-1,4-diol Butynediol butynediol-1,4(french) Dihydroxydimethylacetylene Butynediol,99% 1,4-butynedilol(liquid) 1,4-butynediol(solid) 2-BUTYNE-1,4-DIOL, CRYSTALLIZED

Chemical Properties

Appearance	yellow solid
Melting point	54 °C
Boiling point	238 °C(lit.)
bulk density	500kg/m3
density	1.2
vapor pressure	<0.1 mm Hg ( 55 °C)
refractive index	1.4804
Fp	306 °F
storage temp.	Refrigerator
solubility	3740g/l
form	Crystalline Platelets or Flakes
pka	12.72±0.10(Predicted)
color	slightly brown
PH	4-7.5 (100g/l, H2O, 23℃)
Stability:	Stable. Highly flammable solid. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides, strong acids, strong bases.
Water Solubility	3740 g/L (20 ºC)
BRN	1071237
Henry's Law Constant	2.0×10³ mol/(m³Pa) at 25℃, Altschuh et al. (1999)
Exposure limits	ACGIH: TWA 0.1 ppm; STEL 0.3 ppm OSHA: TWA 0.75 ppm; STEL 2 ppm NIOSH: IDLH 20 ppm; TWA 0.016 ppm; Ceiling 0.1 ppm
InChI	1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2
InChIKey	DLDJFQGPPSQZKI-UHFFFAOYSA-N
SMILES	OCC#CCO
LogP	-0.73 at 25℃
CAS DataBase Reference	110-65-6(CAS DataBase Reference)
NIST Chemistry Reference	2-Butyne-1,4-diol(110-65-6)
EPA Substance Registry System	110-65-6(EPA Substance)

Safety Data

Symbol(GHS)	GHS05,GHS06,GHS08
Signal word	Danger
Hazard statements	H301+H311+H331-H314-H317-H373
Precautionary statements	P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P314
Hazard Codes	T,C
Risk Statements	R21:Harmful in contact with skin. R23/25:Toxic by inhalation and if swallowed . R34:Causes burns. R43:May cause sensitization by skin contact. R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed . less more
Safety Statements	S25:Avoid contact with eyes . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S46:If swallowed, seek medical advice immediately and show this container or label . less more
RIDADR	UN 2716 6.1/PG 3
WGK Germany	2
RTECS	ES0525000
F	23-10
Autoignition Temperature	410 °C
TSCA	Yes
REACH Registrations	Active
HazardClass	6.1
PackingGroup	III
HS Code	29053980
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Eye Dam. 1 Skin Corr. 1B Skin Sens. 1 STOT RE 2
Safety Profile	A poison by ingestion. A skin sensitizer upon long or repeated contact. Moderately explosive. When heated to decomposition it emits acrid smoke and fumes and may explode. Explosive reaction with traces of alkaltes, alkali earth hydroxides, halide salts, strong acids, mercury salts + strong acids. See also ACETYLENE COMTOUNDS. less more
Hazardous Substances Data	110-65-6(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 100 mg/kg less more

Raw materials And Preparation Products

Hazard Information

General Description

White to light-brown solid or brownish-yellow aqueous solution. Solid sinks and mixes with water.

Reactivity Profile

Pure BUTYNEDIOL(110-65-6) is non-explosvie. Small amounts of certain impurities-alkali hydroxides, alkaline earth hydroxides, halides-may cause explosive decomposition upon distillation. BUTYNEDIOL(110-65-6) should not be treated with basic catalysts in the absence of a solvent at room temperature, and its stability is less with elevated temperatures. In strong acids, contamination with mercury salts can also result in violent decomposition [NFPA 491M 1991].

Air & Water Reactions

Water soluble.

Hazard

Toxic by ingestion. May explode on con- tamination with mercury salts, strong acids, and alkaline earth hydroxides and halides at high tem- peratures.

Health Hazard

May cause dermatitis.

Chemical Properties

yellow solid

Uses

2-Butyne-1,4-diol(110-65-6) is used to produce butanedioland butenediol, in metal plating andpickling baths, and in making the carbamateherbicide Barban (Carbyne).

Uses

Basic brightener in nickel electroplating baths,also an important intermediate for organic synthesis

Application

Intermediate; corrosion inhibitor; electroplating brightener; defoliant ; polymerization accelerator; stabilizer for chlorinated hydrocarbons; cosolvent for paint and varnish removal.

Definition

ChEBI: 2-Butyne-1,4-diol(110-65-6) is a butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4. It is used to produce butanedioland butenediol, in metal plating andpickling baths, and in making the carbamateherbicide Barban (Carbyne).

Fire Hazard

Noncombustible solid, flash point (open cup) 152°C (305.6°F). It is stable at room temperature. But the dry compound explodes in the presence of certain heavy metal salts, such as mercuric chloride. Heating with alkaline solution may result in an explosion.

Flammability and Explosibility

Nonflammable

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.

storage

2-Butyne-1,4-diol can be stored in steel,aluminum, nickel, glass, epoxy, and phenolicliner containers. Rubber hose may be usedfor transfer. Avoid contact with heavy metalsalt contaminants.

Purification Methods

Crystallise the diol from EtOAc. [Beilstein 1 IV 2687.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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