2-Butyne-1,4-diol | CAS No. 110-65-6

2-Butyne-1,4-diol

Basic Information

CAS Number

110-65-6

Molecular Formula

C4H6O2

Molecular Weight

46.07 g/mol

EINECS

203-788-6

AD

Basic Physical Properties

Physical State

slightly brown

Melting Point

54 °C

Boiling Point

238°C

Density

1.2

Water Solubility

3740 g/L (20 ºC)

Flash Point

306°F

Solubility

3740g/l

Refractive Index

1.4804

Vapor Pressure

<0.1 mm Hg ( 55 °C)

C(C#CCO)O

InChI

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

InChIKey

DLDJFQGPPSQZKI-UHFFFAOYSA-N

LogP

-0.0014000000000000679

pKa

12.72±0.10(Predicted)

Topological Polar Surface Area

20.23 Ų

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

66

Safety Information

View Safety Information

GHS Hazard Pictograms

H301H301
H312H312
H314H314
H317H317
H331H331
H373H373

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H312 Harmful in contact with skin
Acute toxicity, dermal
H314 Causes severe skin burns and eye damage
Skin corrosion/irritation
H317 May cause an allergic skin reaction
Sensitization, Skin
H331 Toxic if inhaled
Acute toxicity, inhalation
H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Highly flammable solid. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides, strong acids, strong bases.

Sensitiveness

Sensitive to heat and humidity

Auto-ignition Temperature

410 °C

Toxicity

LD50 orally in Rabbit: 100 mg/kg

Synonyms & References

English

  • NSC-834
  • Tox21_201284
  • 1,4-BUTYNE GLYCOL
  • 1,4-BUTYNEDIOL [HSDB]
  • 1,4-Dihydroxy-2-butyne
  • NCGC00249014-01
  • 110-65-6
  • CHEMBL3187551
  • 2-butyn-1,4-diol
  • 1,4Dihydroxy-2-butyne
  • Butynediol-1,4 [French]
  • E78871
  • 2-Butyne-1,4-diol
  • EINECS 203-788-6
  • HSDB 2004
  • Bis(hydroxymethyl)acetylene
  • 2-Butin-1,4-diol [Czechoslovakia]
  • 2-Butyne-1,4-diol, 99%
  • 1,4-Butynediol (VAN)
  • 2-butyne-l,4-diol
  • C02497
  • 2-Butin-1,4-diol
  • AI3-61467
  • UN 2716
  • NCGC00258836-01
  • 2-Butynediol
  • AXH202FPQM
  • DTXSID4021921
  • F0001-0223
  • NSC 834
  • EC 203-788-6

MDL Number

MFCD00002915

EC Number

203-788-6

Customs Code

29053980

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