140-66-9

Name 4-tert-Octylphenol
CAS 140-66-9
EINECS(EC#) 205-426-2
Molecular Formula C14H22O
MDL Number MFCD00002368
Molecular Weight 206.32
MOL File 140-66-9.mol

Chemical Properties

Appearance white powder
Melting point  79-82 °C(lit.)
Boiling point  175 °C30 mm Hg(lit.)
density  0.95 g/cm3 (20℃)
vapor pressure  2Pa at 38℃
refractive index  1.5003 (estimate)
Fp  145 °C
storage temp.  -20°C
solubility  water: slightly soluble0.007g/L at 20°C
form  neat
pka 10.15±0.15(Predicted)
color  White flakes
PH Range 6 at 10 g/l at 20 °C
Stability: Stable. Incompatible with strong oxidizing agents, strong bases.
Water Solubility  7mg/L at 20℃
BRN  513992
Henry's Law Constant 2.3×100 mol/(m3Pa) at 25℃, Xie and Calvé (2004)
Major Application environmental
InChI 1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
InChIKey ISAVYTVYFVQUDY-UHFFFAOYSA-N
SMILES CC(C)(C)CC(C)(C)c1ccc(O)cc1
LogP 4.8 at 22℃
CAS DataBase Reference 140-66-9(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 4-(1,1,3,3-tetramethylbutyl)-(140-66-9)
EPA Substance Registry System 140-66-9(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Environment (GHS09)
GHS05,GHS09
Signal word  Danger
Hazard statements  H315-H318-H410
Precautionary statements  P264-P273-P280-P302+P352-P305+P351+P338-P332+P313
Hazard Codes  Xn
Risk Statements 
R21:Harmful in contact with skin.
R38:Irritating to the skin.
R41:Risk of serious damage to eyes.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
RIDADR  2430
WGK Germany  2
RTECS  SM9625000
TSCA  TSCA listed
REACH Registrations Active
HazardClass  8
PackingGroup  III
HS Code  29071300
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 2
STOT SE 3
Hazardous Substances Data 140-66-9(Hazardous Substances Data)

Hazard Information

Material Safety Data Sheet(MSDS)

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