3-Ethyl-1-pentyn-3-ol

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Names

[ CAS No. ]:
6285-06-9

[ Name ]:
3-Ethyl-1-pentyn-3-ol

[Synonym ]:
3-Ethylpent-1-yn-3-ol
MFCD00014392
EINECS 228-512-1
3-Ethyl-1-pentyn-3-ol
1-Pentyn-3-ol, 3-ethyl-

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
137.1±8.0 °C at 760 mmHg

[ Melting Point ]:
138-140 °C (lit.)

[ Molecular Formula ]:
C7H12O

[ Molecular Weight ]:
112.170

[ Flash Point ]:
37.8±8.2 °C

[ Exact Mass ]:
112.088814

[ PSA ]:
20.23000

[ LogP ]:
1.38

[ Vapour Pressure ]:
3.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.452

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SC4857000
CHEMICAL NAME :
1-Pentyn-3-ol, 3-ethyl-
CAS REGISTRY NUMBER :
6285-06-9
BEILSTEIN REFERENCE NO. :
1740944
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H12-O
MOLECULAR WEIGHT :
112.19
WISWESSER LINE NOTATION :
QX2&2&1UU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
192 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 109,268,1953
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - sleep
REFERENCE :
BDBU** "Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institut der Universitat Breslau, Poland, 1930 Volume(issue)/page/year: -,-,1930

Safety Information

[ Symbol ]:

GHS02

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226

[ Hazard Codes ]:
F+

[ Risk Phrases ]:
R10

[ Safety Phrases ]:
S16

[ RIDADR ]:
UN 1987 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
SC4857000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

Synthetic Route

Precursor & DownStream

Precursor

  • 3-Pentanone
  • Acetylene
  • 3-ethyl-1-trimethylsilanyl-pent-1-yn-3-ol
  • sodium acetylide
  • Bromo(ethynyl)magnesium
  • Diethyl ether

DownStream

  • 1-bromo-3-ethylpenta-1,2-diene
  • 3-ethylpent-1-yn-3-amine
  • 1-bromo-3-ethylpent-2-ene
  • 3,6-diethyloct-4-yne-3,6-diol
  • 3-ethylpent-1-yne
  • 3-Pentanone
  • Acetylene
  • 2-Pentene, 3-ethyl-
  • ethyl 5-ethylhepta-3,4-dienoate

Related Compounds

  • 1-CHLORO-3-ETHYL-1-PENTYN-3-OL
  • 1-phenyl-3-ethyl-1-pentyn-3-ol
  • 3-Ethyl-1-pentyn-3-amine hydrochloride (1:1)
  • 3-(2,6-Dichlorophenyl)-N-(3-ethyl-1-pentyn-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
  • 3-Azetidinol,1-(1,1-diethyl-2-propynyl)-(9CI)
  • 3,5-DICHLORO-N-(3-ETHYLPENT-1-YN-3-YL)-4-METHYLBENZAMIDE