88-18-6

Name 2-tert-Butylphenol
CAS 88-18-6
EINECS(EC#) 201-807-2
Molecular Formula C10H14O
MDL Number MFCD00002223
Molecular Weight 150.22
MOL File 88-18-6.mol

Chemical Properties

Appearance The butylphenols include several isomers. Solid butylphenols (28805-86-9) generally have properties similar to the above:
Melting point  −7 °C(lit.)
Boiling point  224 °C(lit.)
density  0.978 g/mL at 25 °C(lit.)
vapor pressure  0.05 mm Hg ( 20 °C)
refractive index  n20/D 1.523(lit.)
Fp  >230 °F
storage temp.  Store below +30°C.
solubility  0.97g/l soluble
form  clear liquid
pka 10.62(at 25℃)
color  Colorless to Light yellow to Light orange
Water Solubility  0.23 g/100 mL (20 ºC)
BRN  1907120
Henry's Law Constant 3.9×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Stability: Light Sensitive
InChI 1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
InChIKey WJQOZHYUIDYNHM-UHFFFAOYSA-N
SMILES CC(C)(C)c1ccccc1O
LogP 3.3 at 23℃
CAS DataBase Reference 88-18-6(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 2-(1,1-dimethylethyl)-(88-18-6)
EPA Substance Registry System 88-18-6(EPA Substance)

Safety Data

Symbol(GHS)  Corrosion (GHS05)Skull and Crossbones (GHS06)Environment (GHS09)
GHS05,GHS06,GHS09
Signal word  Danger
Hazard statements  H302+H332-H311-H314-H411
Precautionary statements  P273-P280-P301+P312+P330-P303+P361+P353-P304+P340+P312-P305+P351+P338+P310
Hazard Codes  T,N
Risk Statements 
R21/22:Harmful in contact with skin and if swallowed .
R23:Toxic by inhalation.
R34:Causes burns.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R22:Harmful if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 2922 8/PG 2
WGK Germany  2
RTECS  SJ8921000
TSCA  Yes
REACH Registrations Active
HazardClass  8
PackingGroup  III
HS Code  29071900
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Dam. 1
Skin Corr. 1B
Hazardous Substances Data 88-18-6(Hazardous Substances Data)

Hazard Information

Material Safety Data Sheet(MSDS)

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