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2-sec-Butylphenol Structure

2-sec-Butylphenol

Chemical Properties

Melting point 12 °C(lit.)
Boiling point 226-228 °C(lit.)
Density  0.982 g/mL at 25 °C(lit.)
vapor pressure  0.03 mm Hg ( 20 °C)
refractive index  n20/D 1.522(lit.)
Flash point 234 °F
storage temp.  RT, stored under nitrogen
pka 10.36±0.35(Predicted)
form  Liquid
color  White to Light yellow
optical activity Consistent with structure
Water Solubility  Insoluble. <0.1 g/100 mL at 20 ºC
BRN  1210026
Henry's Law Constant 4.7×100 mol/(m3Pa) at 25℃, HSDB (2015)
Exposure limits PC-TWA:30 mg/m3
Stability Stable, but air sensitive. Incompatible with acid chlorides, acid anhydrides, bases, strong oxidizing agents, copper and its alloys, brass.
InChI 1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
InChIKey NGFPWHGISWUQOI-UHFFFAOYSA-N
SMILES CCC(C)c1ccccc1O
LogP 3 at 20℃
CAS DataBase Reference 89-72-5(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 2-(1-methylpropyl)-(89-72-5)
EPA Substance Registry System o-sec-Butylphenol (89-72-5)

Safety Information

Hazard Codes  C
Risk Statements  20/21/22-34-22
Safety Statements  26-27-28-36/37/39-45
RIDADR  UN 3145 8/PG 2
OEB A
OEL TWA: 5 ppm (30 mg/m3) [skin]
WGK Germany  2
RTECS  SJ8920000
TSCA  TSCA listed
HazardClass  8
PackingGroup  III
HS Code  29071910
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Acute Tox. 4 Oral
Skin Corr. 1C
Hazardous Substances Data 89-72-5(Hazardous Substances Data)

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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