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4-Chloro-2-isopropyl-5-methylphenol Structure

4-Chloro-2-isopropyl-5-methylphenol

Chemical Properties

Melting point 60-62 °C (lit.)
Boiling point 259-263°C
Density  1.0639 (rough estimate)
refractive index  1.5310 (estimate)
Flash point 259-263°C
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  ethanol: soluble10%, clear to very slightly hazy, yellow
pka 10.16±0.23(Predicted)
form  Solid
color  White to Off-White
Sensitive  Light Sensitive
Merck  14,2170
BRN  2084453
Stability Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
Cosmetics Ingredients Functions ANTIMICROBIAL
ANTIPLAQUE
ORAL CARE
DENATURANT
DEODORANT
Cosmetic Ingredient Review (CIR) 4-CHLORO-2-ISOPROPYL-5-METHYLPHENOL (89-68-9)
InChI 1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3
InChIKey KFZXVMNBUMVKLN-UHFFFAOYSA-N
SMILES CC(C)c1cc(Cl)c(C)cc1O
LogP 3.920
CAS DataBase Reference 89-68-9(CAS DataBase Reference)
EPA Substance Registry System 6-Chlorothymol (89-68-9)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  XP2620000
TSCA  TSCA listed
HS Code  2908190090
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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