2,3,6-Trimethylphenol

Product Name: 2,3,6-Trimethylphenol (CAS NO.2416-94-6)

Molecular Formula: C₉H₁₂O
Molecular Weight: 136.19g/mol
Mol File: 2416-94-6.mol
EINECS: 219-330-3
Melting Point: 59-62 °C(lit.)
Boiling point: 215°C
Flash Point: 100 °C
Density: 0.996 g/cm³
Surface Tension: 36.1 dyne/cm
Enthalpy of Vaporization: 47.82 kJ/mol
Vapour Pressure: 0.0661 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 2,3,6-Trimethylphenol (CAS NO.2416-94-6):
  IUPAC Name: 2,3,6-trimethylphenol
  Canonical SMILES: CC1=C(C(=C(C=C1)C)O)C
  InChI: InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3 
  InChIKey: QQOMQLYQAXGHSU-UHFFFAOYSA-N
Product Categories: Aromatic Phenols; Phenoles and thiophenoles; Organic Building Blocks; Oxygen Compounds; Phenols; Alphabetical Listings; Flavors and Fragrances; Q-Z

Safety Information of 2,3,6-Trimethylphenol (CAS NO.2416-94-6):
Hazard Codes: C,Xi
Risk Statements: 37/38-41-36/37/38-34 
34:  Causes burns 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system
38:  Irritating to the skin 
41:  Risk of serious damage to eyes
Safety Statements: 26-39-24/25-45-36/37/39
24:  Avoid contact with skin 
25:  Avoid contact with eyes 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves  
39:  Wear eye/face protection  
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
RIDADR: UN 2430 8/PG 3
WGK Germany: 1
HazardClass: 8
PackingGroup: III
Hazardous Substances Data: 2416-94-6(Hazardous Substances Data)

 2,3,6-Trimethylphenol , its CAS NO. is 2416-94-6, the synonyms are 5-26-16-00256 (Beilstein Handbook Reference) ; Adenosine, 2',3'-dideoxy- ; BRN 0619924 ; CCRIS 428 ; D2A ; Dideoxyadenosine ; EINECS 223-853-2 ; NSC 98700 ; ddA ; ddAdo .