4-Phenyltoluene Structure

4-Phenyltoluene

Chemical Properties

Melting point 44-47 °C (lit.)
Boiling point 267-268 °C (lit.)
Density  1,015 g/cm3
refractive index  1.5761 (estimate)
FEMA  3186 | 4-METHYLBIPHENYL
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Soluble in DMSO
form  powder to crystal
color  White to Orange to Green
Odor at 1.00 % in dipropylene glycol. floral spicy wintergreen anise waxy mint
Odor Type spicy
biological source synthetic
Water Solubility  Insoluble in water. Soluble in alcohol and ether, very soluble in organic solvents.
JECFA Number 1334
BRN  1904468
Henry's Law Constant 1.6×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Major Application flavors and fragrances
InChI 1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey ZZLCFHIKESPLTH-UHFFFAOYSA-N
SMILES Cc1ccc(cc1)-c2ccccc2
LogP 4.63
CAS DataBase Reference 644-08-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 4-METHYLBIPHENYL
EWG's Food Scores 1
FDA UNII 13J700766D
NIST Chemistry Reference 1,1'-Biphenyl, 4-methyl-(644-08-6)
EPA Substance Registry System 1,1'-Biphenyl, 4-methyl- (644-08-6)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P280-P305+P351+P338
Safety Statements  24/25-22
WGK Germany  2
RTECS  DV5460000
TSCA  TSCA listed
HS Code  29029090
Storage Class 11 - Combustible Solids
NFPA 704:
1
0 0

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