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
  • tert-butyl N-[4-hydroxy-2-(morpholin-4-yl)cyclohexyl]carbamate
  • tert-butyl N-{2-[(2,2-difluoroethyl)(methyl)amino]-4-hydroxycyclohexyl}carbamate
  • tert-butyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate
  • 3-[(5-Bromopyridin-3-yl)oxy]propan-1-amine dihydrochloride
  • tert-butyl N-{4-hydroxy-2-[methyl(phenyl)amino]cyclohexyl}carbamate
  • 6-Ethynyl-[1,3]oxazolo[4,5-b]pyridine
  • tert-butyl 1-[(methylamino)methyl]-2,3-dihydro-1H-isoindole-2-carboxylate
  • Methyl 6-methoxy-2,3-dihydro-1-benzofuran-3-carboxylate
  • tert-butyl N-[2-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-4-hydroxycyclohexyl]carbamate
  • 3-(2,5-dimethyl-1H-pyrrol-3-yl)-1-[5-(2-fluorophenyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]urea
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