26311-45-5

Name 4-Pentylbenzoic acid
CAS 26311-45-5
EINECS(EC#) 247-607-9
Molecular Formula C12H16O2
MDL Number MFCD00002572
Molecular Weight 192.25
MOL File 26311-45-5.mol
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Chemical Properties

Appearance white to light yellow crystalline powder
Melting point  85-90 °C
Boiling point  261 °C (746 mmHg)
density  1.0430
refractive index  1.5207 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Ether, Alcohol
form  powder to crystal
pka 4.35±0.10(Predicted)
color  Colorless liquid
Water Solubility  insoluble
Usage Intermediates of Liquid Crystals
BRN  2044798
InChI 1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChIKey CWYNKKGQJYAHQG-UHFFFAOYSA-N
SMILES CCCCCc1ccc(cc1)C(O)=O
CAS DataBase Reference 26311-45-5(CAS DataBase Reference)
NIST Chemistry Reference 4-n-Pentylbenzoic acid(26311-45-5)
EPA Substance Registry System 26311-45-5(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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 .
S36:Wear suitable protective clothing .
WGK Germany  3
RTECS  DH6273000
TSCA  Yes
HS Code  29163990
Storage Class 11 - Combustible Solids
Toxicity
LD50 ivn-mus: 56 mg/kg CSLNX* NX#10073 CONSENSUS REPORTS: Reported in EPA TSCA

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

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