2416-94-6

Name 2,3,6-Trimethylphenol
CAS 2416-94-6
EINECS(EC#) 219-330-3
Molecular Formula C9H12O
MDL Number MFCD00002229
Molecular Weight 136.19
MOL File 2416-94-6.mol

Chemical Properties

Melting point  59-62 °C(lit.)
Boiling point  215°C
density  0.940
FEMA  3963
refractive index  1.5115 (estimate)
Fp  100
storage temp.  Inert atmosphere,Room Temperature
solubility  methanol: 0.1 g/mL, clear
form  powder to crystal
pka 10.77±0.15(Predicted)
color  White to Orange to Green
Odor char. antiseptic odor
Water Solubility  1.42g/L at 25℃
JECFA Number 737
Henry's Law Constant 2.5×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
InChIKey QQOMQLYQAXGHSU-UHFFFAOYSA-N
SMILES Cc1ccc(C)c(O)c1C
LogP 2.80
CAS DataBase Reference 2416-94-6(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 2,3,6-trimethyl-(2416-94-6)
EPA Substance Registry System 2416-94-6(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Corrosion (GHS05)
GHS07,GHS05
Signal word  Danger
Hazard statements  H315-H317-H318-H314
Precautionary statements  P260h-P301+P330+P331-P303+P361+P353-P501a-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338
Hazard Codes  C,Xi
Risk Statements 
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S24/25:Avoid contact with skin and eyes .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 2430 8/PG 3
WGK Germany  1
TSCA  Yes
HS Code  2907.19.2000
REACH Registrations Active
HazardClass  8
PackingGroup  III
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
Hazardous Substances Data 2416-94-6(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier