2,5- hexyne diol

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Names

[ CAS No. ]:
3031-66-1

[ Name ]:
2,5- hexyne diol

[Synonym ]:
3-HEXYNE-2,5-DIOL,DL AND MESO
Bis(1-hydroxyethyl)acetylene
hex-3-yne-2,5-diol
hex-3-yn-2,5-diol
3-hexine-2,5-diol
EINECS 221-209-5
3-Hexyne-2,5-diol
UNII:538TMM2U3G
Hexyne-3-diol-2,5
3-Hexin-2,5-diol
Hex-3-in-2,5-diol
Hx-3-yne-2,5-diol
MFCD00004542
HD
2,5- hexyne diol

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
221.9±8.0 °C at 760 mmHg

[ Melting Point ]:
42 °C(lit.)

[ Molecular Formula ]:
C6H10O2

[ Molecular Weight ]:
114.142

[ Flash Point ]:
104.0±13.0 °C

[ Exact Mass ]:
114.068077

[ PSA ]:
40.46000

[ LogP ]:
-0.41

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.490

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MR0175000
CHEMICAL NAME :
3-Hexyne-2,5-diol
CAS REGISTRY NUMBER :
3031-66-1
BEILSTEIN REFERENCE NO. :
1720667
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C6-H10-O2
MOLECULAR WEIGHT :
114.16
WISWESSER LINE NOTATION :
QY1&1UU1YQ1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 4,378,1952 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0847 No. of Facilities: 27 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 294 (estimated) No. of Female Employees: 27 (estimated)

Safety Information

[ Hazard Codes ]:
T:Toxic

[ Risk Phrases ]:
R25;R36

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
MR0175000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2905399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ch3cho
  • Acetylene
  • Cellulose microcrystalline
  • (2R,3E,5S)-3,4-dibromohex-3-ene-2,5-diol
  • 3-Butyn-2-ol
  • Ethanol
  • 3,4-dibromo-hex-3-ene-2,5-diol

DownStream

  • 2,5-Dimethyl-1-(2-pyridinyl)-1H-pyrrole
  • Acetonylacetone
  • 2,5-Dimethylfuran
  • (2S,5R)-2,5-Hexanediol
  • (2R,5R)-2,5-Hexanediol
  • (2S,5S)-(+)-HEXANEDIOL
  • hexanedione
  • 3,4-Hexanedione
  • 3-ACETYL-2-(METHYLMINOSULFONYL)THIOPHENE
  • 1-(4-Methoxyphenyl)-2,5-dimethylpyrrole

Customs

[ HS Code ]: 2905399090

[ Summary ]:
2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

Related Compounds

  • tricosane-2,5-diol
  • undecane-2,5-diol
  • oxolane-2,5-diol
  • heptane-2,5-diol
  • norbornane-2,5-diol
  • 2,5-Furandiol