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4-Propylphenol Structure

4-Propylphenol

Chemical Properties

Melting point 22°C
Boiling point 232 °C(lit.)
Density  0.983 g/mL at 25 °C(lit.)
FEMA  3649 | P-PROPYLPHENOL
refractive index  n20/D 1.523(lit.)
Flash point 232 °F
storage temp.  Inert atmosphere,Room Temperature
pka 9.99±0.13(Predicted)
form  Liquid
Specific Gravity 0.99
color  Clear yellow
Odor at 0.10 % in propylene glycol. medicinal phenolic
Odor Type phenolic
biological source synthetic
Water Solubility  1.427g/L(25 ºC)
JECFA Number 696
BRN  1363429
Henry's Law Constant 1.7×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
InChI 1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
InChIKey KLSLBUSXWBJMEC-UHFFFAOYSA-N
SMILES CCCc1ccc(O)cc1
LogP 3.01
CAS DataBase Reference 645-56-7(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 4-propyl-(645-56-7)
EPA Substance Registry System p-Propylphenol (645-56-7)

Safety Information

Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  26-28-36/37/39-45-36
RIDADR  UN 3145 8/PG 3
WGK Germany  3
RTECS  SM8610000
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29071900
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

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