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
  • (1R,2S)-2-Methoxycyclopropan-1-amine
  • 3-(4-Aminophenoxy)azetidine-1-carboxamide
  • 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-5-amine dihydrochloride
  • 4-Methoxyphenyl 2,3:4,6-di-o-benzylidene-alpha-d-mannopyranoside
  • ethyl 3-(1-ethyl-1H-indazol-5-yl)-3-oxopropanoate
  • (1-Methyl-5-propyl-1h-pyrazol-3-yl)methanol
  • 5-Chloro-3-fluoro-4-methoxy-2-methylbenzaldehyde
  • N-butyl-5-hydroxy-N-methylpyridine-2-carboxamide
  • 5-[(3AS,6aS)-octahydrocyclopenta[c]pyrrol-3a-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
  • 1-Ethyl-N-(2-methoxyethyl)-4-nitro-1H-pyrazol-3-amine
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