Phenylacetylene Structure

Phenylacetylene

Chemical Properties

Melting point -44.8 °C
Boiling point 142-144 °C (lit.)
Density  0.93 g/mL at 25 °C (lit.)
vapor pressure  17.6 mm Hg ( 37.7 °C)
refractive index  n20/D 1.549(lit.)
Flash point 88 °F
storage temp.  Store at +2°C to +8°C.
solubility  H2O: insoluble
pka 19(at 25℃)
form  Liquid
color  Clear colorless to yellow
Specific Gravity 0.930
Water Solubility  INSOLUBLE
Sensitive  Light Sensitive
Merck  14,3861
BRN  605461
Henry's Law Constant 1.6×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant 3.0(20℃)
Stability Stable. Flammable. Incompatible with strong oxidizing agents, acids, halogens.
InChI 1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
InChIKey UEXCJVNBTNXOEH-UHFFFAOYSA-N
SMILES C#Cc1ccccc1
CAS DataBase Reference 536-74-3(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 239WSR2IBO
NIST Chemistry Reference Phenylacetylene(536-74-3)
EPA Substance Registry System Phenylacetylene (536-74-3)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
Signal wordDanger
Hazard statements H315-H319-H304-H226
Precautionary statements P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P403+P235-P405
Hazard Codes  Xn
Risk Statements  10-36/37/38-40-65-36/37
Safety Statements  16-26-36/37/39-45-62-36/37
RIDADR  UN 3295 3/PG 3
WGK Germany  1
RTECS  DA0780000
F  8-19
TSCA  TSCA listed
HS Code  2902 90 00
HazardClass  3
PackingGroup  III
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 3
Carc. 1B
Eye Dam. 1
Flam. Liq. 3
Skin Corr. 1B
NFPA 704:
2
3 0

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