2,3,6-Trimethylphenol 2416-94-6

2,3,6-Trimethylphenol Basic information

Product Name:

2,3,6-Trimethylphenol

CAS:

2416-94-6

MF:

C9H12O

MW:

136.19

EINECS:

219-330-3

Mol File:

2416-94-6.mol

2,3,6-Trimethylphenol Chemical Properties

Melting point

59-62 °C(lit.)

Boiling point

215°C

density

0.94

FEMA

3963 | 2,3,6-TRIMETHYLPHENOL

refractive index

1.5115 (estimate)

Fp

100

storage temp.

Inert atmosphere,Room Temperature

solubility

methanol: 0.1 g/mL, clear

pka

10.77±0.15(Predicted)

form

powder to crystal

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

2.8

CAS DataBase Reference

2416-94-6(CAS DataBase Reference)

NIST Chemistry Reference

Phenol, 2,3,6-trimethyl-(2416-94-6)

EPA Substance Registry System

2,3,6-Trimethylphenol (2416-94-6)