3-Phenyltoluene Structure

3-Phenyltoluene

Chemical Properties

Melting point 4-5 °C(lit.)
Boiling point 272 °C(lit.)
Density  1.018 g/mL at 25 °C(lit.)
refractive index  n20/D 1.602(lit.)
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
form  Liquid
Specific Gravity 1.01
color  Clear light yellow
BRN  2039658
Henry's Law Constant 1.5×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI 1S/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey NPDIDUXTRAITDE-UHFFFAOYSA-N
SMILES Cc1cccc(c1)-c2ccccc2
LogP 4.634 (est)
CAS DataBase Reference 643-93-6(CAS DataBase Reference)
FDA UNII KFP6EO4J6P
NIST Chemistry Reference 1,1'-Biphenyl, 3-methyl-(643-93-6)
EPA Substance Registry System 3-Methylbiphenyl (643-93-6)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  24/25
WGK Germany  3
TSCA  TSCA listed
HS Code  29029090
Storage Class 10 - Combustible liquids
NFPA 704:
0
0 0

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