101-53-1

Name 4-BENZYLPHENOL
CAS 101-53-1
EINECS(EC#) 202-950-3
Molecular Formula C13H12O
MDL Number MFCD00002384
Molecular Weight 184.23
MOL File 101-53-1.mol
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Chemical Properties

Appearance White Solid
Melting point  79-81 °C(lit.)
Boiling point  198-200 °C10 mm Hg(lit.)
density  1.0120 (rough estimate)
refractive index  1.5641 (estimate)
Fp  320-322°C
storage temp.  Sealed in dry,Room Temperature
solubility  almost transparency in Methanol
form  powder to crystal
pka 10.23±0.10(Predicted)
color  White to Light yellow to Light orange
Water Solubility  99.99mg/L(25 ºC)
Merck  14,1143
BRN  1449572
InChI 1S/C13H12O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey HJSPWKGEPDZNLK-UHFFFAOYSA-N
SMILES Oc1ccc(Cc2ccccc2)cc1
CAS DataBase Reference 101-53-1(CAS DataBase Reference)
EPA Substance Registry System Phenol, 4-(phenylmethyl)- (101-53-1)
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Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  2
RTECS  SM8330500
TSCA  Yes
HS Code  2907.19.8000
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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