ChemicalBook--->CAS DataBase List--->3031-66-1

3031-66-1

3031-66-1 Structure

3031-66-1 Structure
IdentificationMore
[Name]

3-Hexyn-2,5-diol
[CAS]

3031-66-1
[Synonyms]

3-hexyn-2,5-diol
3-HEXYNE-2,5-DIOL
3-HEXYNE-2,5-DIOL, DL AND MESO
BIS(1-HYDROXYETHYL)ACETYLENE
Hexyne-3-diol-2,5
3-hexyne-2,5-diol, mixture of (+/-)-and meso
hex-3-yne-2,5-diol
3-HEXYNE-2,5-DIOL, 97%, MIXTURE OF (+/-)-AND MESO ISOMERS
3-Hexyne-2,5-diol, dl + meso, 97%
NISTC3031661
3-Hexin-2,5-diol
Di(1-hydroxyethyl)acetylene
[EINECS(EC#)]

221-209-5
[Molecular Formula]

C6H10O2
[MDL Number]

MFCD00004542
[Molecular Weight]

114.14
[MOL File]

3031-66-1.mol
Chemical PropertiesBack Directory
[Melting point ]

42 °C(lit.)
[Boiling point ]

121 °C15 mm Hg(lit.)
[density ]

1.009 g/mL at 25 °C(lit.)
[vapor pressure ]

0.1Pa at 20℃
[refractive index ]

n20/D 1.473(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

12.80±0.20(Predicted)
[color ]

Pale Yellow
[BRN ]

1720667
[LogP]

-0.24 at 25℃
[CAS DataBase Reference]

3031-66-1(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Hexyne-2,5-diol(3031-66-1)
[EPA Substance Registry System]

3031-66-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R25:Toxic if swallowed.
R36:Irritating to the eyes.
[Safety Statements ]

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) .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

2
[RTECS ]

MR0175000
[TSCA ]

TSCA listed
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Toxicity]

mouse,LDLo,intraperitoneal,500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 378, 1952.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Hexyn-2,5-diol(3031-66-1).msds
Hazard InformationBack Directory
[Description]

3-Hexyne-2,5-diol is a more or less solid yellow mass of crystals depending on the relative content of the meso form. It is miscible with water and polar solvents. 3-Hexyne-2,5-diol is produced by BASF from acetylene and acetaldehyde by the Reppe ethynylation method.
[Uses]

3-Hexyne-2,5-diol is used in the synthesis of hyperbrancehed poly([1,2,3]-triazoles. Also used in the synthesis of pyrazoles and thiopyrazoles.
[Application]

3-Hexyne-2,5-diol is used in nickel process baths as a brightener. It is the starting material for production of pyrroles and of 2,5-hexanediol, as well as in the production of 4-hydroxy-2,5-dimethyl-3-(2H)-furanone, trade name Furaneol, used as pineapple and strawberry flflavor.
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

3-Hexyn-2,5-diol(3031-66-1)MS
3-Hexyn-2,5-diol(3031-66-1)1HNMR
3-Hexyn-2,5-diol(3031-66-1)13CNMR
3-Hexyn-2,5-diol(3031-66-1)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Hexyne-2,5-diol, (±) + meso, 97%(3031-66-1)
[Sigma Aldrich]

3031-66-1(sigmaaldrich)
[TCI AMERICA]

3-Hexyne-2,5-diol,>95.0%(GC)(3031-66-1)
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