1,3-HEXANEDIOL

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Names

[ CAS No. ]:
21531-91-9

[ Name ]:
1,3-HEXANEDIOL

[Synonym ]:
1,3-Hexanediol
Hexan-1,3-diol

Chemical & Physical Properties

[ Density]:
0.961g/cm3

[ Boiling Point ]:
228.2ºC at 760mmHg

[ Molecular Formula ]:
C6H14O2

[ Molecular Weight ]:
118.17400

[ Flash Point ]:
106.1ºC

[ Exact Mass ]:
118.09900

[ PSA ]:
40.46000

[ LogP ]:
0.52980

[ Vapour Pressure ]:
0.0145mmHg at 25°C

[ Index of Refraction ]:
1.447

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO2000000
CHEMICAL NAME :
1,3-Hexanediol
CAS REGISTRY NUMBER :
21531-91-9
BEILSTEIN REFERENCE NO. :
1732521
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H14-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>20 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 23,418,1975

Safety Information

[ HS Code ]:
2905399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ETHYL 3-HYDROXYHEXANOATE
  • TRANS-3-HEXEN-1-OL
  • Ethyl 3-oxohexanoate
  • cis-3-Hexen-1-ol
  • Methyl 3-oxohexanoate
  • (2R,3R)-(+)-3-PROPYLOXIRANEMETHANOL
  • (2R,3R)-2,3-epoxyhexan-1-ol
  • 1,1,3,3-Tetramethyl Disilazane
  • 2,2-dimethyl-3-propyl-1,2-oxasilolane
  • 2-((2RS,3RS)-3-ethyloxiran-2-yl)ethan-1-ol

DownStream

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

  • 2-Ethyl-1,3-hexanediol
  • 2,2-Dimethyl-1,3-hexanediol
  • 2-ethyl-2,4-dimethyl-1,3-hexanediol
  • (2S,3R,4S)-2,4-dimethyl-1,3-hexanediol
  • Acrylic acid-2-ethyl-1,3-hexanediol (2:1)
  • Titanium, Bu alc. 2-ethyl-1,3-hexanediol complexes