527-60-6

Name 2,4,6-Trimethylphenol
CAS 527-60-6
EINECS(EC#) 208-419-2
Molecular Formula C9H12O
MDL Number MFCD00002235
Molecular Weight 136.19
MOL File 527-60-6.mol
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Chemical Properties

Appearance BEIGE CRYSTALLINE NEEDLES
Melting point  70-72 °C(lit.)
Boiling point  220 °C(lit.)
density  0.9809 (estimate)
vapor pressure  3.86Pa at 25℃
FEMA  4329 | 2,4,6-TRIMETHYLPHENOL
refractive index  1.5148 (estimate)
Fp  220-221°C
storage temp.  under inert gas (argon)
form  Crystalline Needles
pka pK1:10.88 (25°C)
color  Beige
Odor at 0.10 % in propylene glycol. mild phenolic coffee grounds
biological source synthetic
Odor Type phenolic
Water Solubility  1.008g/L(25 ºC)
JECFA Number 2013
BRN  1859675
Henry's Law Constant 3.8×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Major Application flavors and fragrances
InChI 1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3
InChIKey BPRYUXCVCCNUFE-UHFFFAOYSA-N
SMILES Cc1cc(C)c(O)c(C)c1
LogP 2.73 at 25℃
CAS DataBase Reference 527-60-6(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 2,4,6-trimethyl-(527-60-6)
EPA Substance Registry System 527-60-6(EPA Substance)
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Safety Data

Hazard Codes  C
Risk Statements 
R34:Causes burns.
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) .
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 2430 8/PG 3
WGK Germany  2
RTECS  OX6590000
TSCA  Yes
REACH Registrations Active
HazardClass  8
PackingGroup  III
HS Code  29071990
Storage Class 8A - Combustible corrosive hazardous materials
Hazard Classifications Aquatic Chronic 2
Eye Dam. 1
Skin Irrit. 2
STOT RE 2 Oral
STOT SE 3
Hazardous Substances Data 527-60-6(Hazardous Substances Data)

Hazard Information

Material Safety Data Sheet(MSDS)

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