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1-Octyne Structure

1-Octyne

  • Product Name1-Octyne
  • CAS629-05-0
  • CBNumberCB8778026
  • MFC8H14
  • MW110.2
  • EINECS211-069-3
  • MDL NumberMFCD00009546
  • MOL File629-05-0.mol

Chemical Properties

Melting point: −80 °C (lit.)
Boiling point: 126 °C
Density  0.75
vapor pressure  37.7 mm Hg ( 37.7 °C)
refractive index  1.42
Flash point: 17 °C
storage temp.  Flammables area
solubility  0.024g/l
form  clear liquid
color  Colorless to Light yellow
Specific Gravity 0.746
explosive limit 0.8%(V)
Water Solubility  Miscible with alcohol, ether and other organic solvents. Immiscible with water.
BRN  1734494
Henry's Law Constant 1.2×10-4 mol/(m3Pa) at 25℃, Brockbank (2013)
InChI 1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3
InChIKey UMIPWJGWASORKV-UHFFFAOYSA-N
SMILES CCCCCCC#C
LogP 3.717 (est)
CAS DataBase Reference 629-05-0(CAS DataBase Reference)
NIST Chemistry Reference 1-Octyne(629-05-0)
EPA Substance Registry System 1-Octyne (629-05-0)

Safety

Symbol(GHS)  Flame (GHS02)Health Hazard (GHS08)
GHS02,GHS08
Signal word  Danger
Hazard statements  H304-H225
Precautionary statements  P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405
PPE Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  F,Xn,Xi
Risk Statements  11-65-36/37/38
Safety Statements  16-62-33-26
RIDADR  UN 3295 3/PG 2
WGK Germany  3
RTECS  RI2655000
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29012980
Storage Class 3 - Flammable liquids
Hazard Classifications Asp. Tox. 1
Flam. Liq. 2
Toxicity dns-ham:lvr 100 mmol/L CRNGDP 6,1201,85
REACH Registrations Active
Limited Quantities 1.0 L (0.3 gallon) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
NFPA 704:
3
1 0

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1-Octyne Chemical Properties,Usage,Production

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