1-Octyn-3-ol

Suppliers

Names

[ CAS No. ]:
818-72-4

[ Name ]:
1-Octyn-3-ol

[Synonym ]:
(RS)-1-octyn-3-ol
QY6&1UU1
3-hydroxyoct-1-yne
1-Octyne-3-ol
(+/-)-oct-1-yn-3-ol
1-OCTYNOL-3
EINECS 212-455-4
Ethynyl n-pentyl carbinol
(+/-)-1-octyn-3-ol
Oct-1-yne-3-ol
Oct-1-yn-3-ol
1-pentyl-2-propyn-1-ol
n-Amyl ethynyl carbinol
1-Octyn-3-ol
MFCD00004588

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
169.6±8.0 °C at 760 mmHg

[ Melting Point ]:
-60 °C

[ Molecular Formula ]:
C8H14O

[ Molecular Weight ]:
126.196

[ Flash Point ]:
63.9±0.0 °C

[ Exact Mass ]:
126.104462

[ PSA ]:
20.23000

[ LogP ]:
2.09

[ Vapour Pressure ]:
0.5±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.453

[ Water Solubility ]:
3.4 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RI2737000
CHEMICAL NAME :
1-Octyn-3-ol
CAS REGISTRY NUMBER :
818-72-4
BEILSTEIN REFERENCE NO. :
1098642
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H14-O
MOLECULAR WEIGHT :
126.22
WISWESSER LINE NOTATION :
QY5&1UU1

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 :
460 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 11,692,1956

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S36/37-S37/39-S26

[ RIDADR ]:
2810

[ WGK Germany ]:
3

[ RTECS ]:
RI2737000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
29052990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-oct-1-yn-3-yloxyoxane
  • Hexanal
  • Bromo(ethynyl)magnesium
  • Acetylene
  • tert-butyl-dimethyl-oct-1-yn-3-yloxysilane
  • Oct-1-yne
  • 1-(trimethylsilyl)oct-1-yn-3-ol
  • oct-1-yn-3-one
  • trimethylaluminum
  • sodium acetylide

DownStream

  • 2,2-dimethoxyoctan-3-ol
  • (S)-1-Octyn-3-ol
  • (R)-(+)-1-OCTYN-3-OL
  • N-p-Tosyl-L-phenylalanine
  • (S)-1-octyn-3-yl N-(p-toluenesulfonyl)-(S)-phenylalaninate
  • methyl (2Z,4Z)-2,4-decadienoate
  • methyl (2Z,4E)-2,4-decadienoate
  • methyl (E,Z)-2,4-decadienoate

Customs

[ HS Code ]: 29052990

Related Compounds

  • 1-Octyn-3-ol
  • (S)-1-Octyn-3-ol
  • (3R)-1-octyn-3-ol
  • 1-Octyn-3-ol,1-iodo
  • 1-Octyn-3-ol,acetate
  • (R)-(+)-1-OCTYN-3-OL