2-ethylpentane-1,3-diol

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Names

[ CAS No. ]:
29887-11-4

[ Name ]:
2-ethylpentane-1,3-diol

[Synonym ]:
2-Aethyl-4-methylbutandiol-1,3
2-Ethyl-1,3-pentanediol
1,3-Pentanediol,2-ethyl

Chemical & Physical Properties

[ Density]:
0.945g/cm3

[ Boiling Point ]:
229.2ºC at 760mmHg

[ Molecular Formula ]:
C7H16O2

[ Molecular Weight ]:
132.20100

[ Flash Point ]:
117.1ºC

[ Exact Mass ]:
132.11500

[ PSA ]:
40.46000

[ LogP ]:
0.77580

[ Vapour Pressure ]:
0.0136mmHg at 25°C

[ Index of Refraction ]:
1.448

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA0605000
CHEMICAL NAME :
1,3-Pentanediol, 2-ethyl-
CAS REGISTRY NUMBER :
29887-11-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H16-O2
MOLECULAR WEIGHT :
132.23
WISWESSER LINE NOTATION :
Q1Y2&YQ2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 228,367,1956

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-ethyl-3-hydroxypentanal

DownStream

  • 1,3-Dioxan-2-one,5,5-diethyl-

Related Compounds

  • 2-butyl-2-ethylpentane-1,3-diol
  • (S)-3-AMINO-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONICACID
  • 2-ethylbenzene-1,3-diol
  • 2-methyloctane-1,3-diol
  • 2-benzhydrylpropane-1,3-diol
  • 2-octoxypropane-1,3-diol
  • N-(1-benzyl-4-piperidyl)-1-(2-methoxyethyl)-1H-indole-3-carboxamide
  • 2-(6-fluoro-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(4-(thiophen-2-yl)thiazol-2-yl)acetamide
  • 3-(3-Bromo-5-fluorophenyl)-2,2-dimethylpropanoic acid
  • N-Boc-2-(3-pyridyl)cyclopropanamine
  • (R)-2-([1,1'-Biphenyl]-3-yl)piperazine
  • 7-Methoxy-1,1,5,5-tetramethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methanonaphthalene
  • 3,4-Dihydro-2-(hydroxyphenylmethyl)-1(2H)-naphthalenone
  • 2-(Diphenylmethylene)-1,3,3-trimethylbicyclo[2.2.1]heptane
  • Methyl 3-aminooctanoate
  • (R)-2-(Pyridin-4-yl)piperazine
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