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(S)-1-OCTYN-3-OL Structure

(S)-1-OCTYN-3-OL

Chemical Properties

Melting point -39°C (estimate)
Boiling point 100 °C20 mm Hg(lit.)
Density  0.864 g/mL at 25 °C(lit.)
refractive index  n20/D 1.442(lit.)
Flash point 147 °F
storage temp.  2-8°C
pka 13.41±0.20(Predicted)
form  clear liquid
color  Colorless to Light yellow to Light orange
optical activity [α]20/D 6.5°, c = 2 in methylene chloride
BRN  2037703
InChI 1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3/t8-/m1/s1
InChIKey VUGRNZHKYVHZSN-MRVPVSSYSA-N
SMILES CCCCC[C@H](O)C#C

Safety Information

Hazard Codes  Xn
Risk Statements  20/21/22
Safety Statements  27-36/37/39-45
RIDADR  UN 2810 6.1/PG 3
WGK Germany  3
PackingGroup  III
HS Code  29052990
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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