21643-38-9

Name 4-Hexylbenzoic acid
CAS 21643-38-9
EINECS(EC#) 244-490-6
Molecular Formula C13H18O2
MDL Number MFCD00013997
Molecular Weight 206.28
MOL File 21643-38-9.mol
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Chemical Properties

Appearance slightly beige crystalline powder or flakes
Melting point  95-97 °C
Boiling point  334.43°C (estimate)
density  1.0041 (estimate)
refractive index  1.5211 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  methanol: 0.1 g/mL, clear
form  liquid crystal
pka 4.36±0.10(Predicted)
color  Slightly beige
Usage Intermediates of Liquid Crystals
BRN  2046454
InChI 1S/C13H18O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3,(H,14,15)
InChIKey CPEPWESLFZVUEP-UHFFFAOYSA-N
SMILES CCCCCCc1ccc(cc1)C(O)=O
LogP 5.010 (est)
CAS DataBase Reference 21643-38-9(CAS DataBase Reference)
EPA Substance Registry System 21643-38-9(EPA Substance)

Safety Data

Hazard Codes  Xn
Risk Statements 
R36/37:Irritating to eyes and respiratory system .
R22:Harmful if swallowed.
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  DH1485000
TSCA  Yes
HS Code  29163990
Storage Class 11 - Combustible Solids

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