Basic information
- Name:
Phenol,2,3,6-trimethyl-
- Superlist Name:
- 2,3,6-Trimethylphenol
- CAS No.:
2416-94-6
- Molecular Structure:
- Formula:
- C9H12O
- Molecular Weight:
- 136.19
- Deleted CAS:
- 50356-13-3
- Synonyms:
- 3-Hydroxypseudocumene;NSC 91509;
- EINECS:
- 219-330-3
- Density:
- 0.996 g/cm3
- Melting Point:
- 59-62 °C(lit.)
- Boiling Point:
- 223.022 °C at 760 mmHg
- Flash Point:
- 99.96 °C
- Solubility:
- methanol: 0.1 g/mL, clear
- Hazard Symbols:
C, 
Xi- Risk Codes:
- 37/38-41-36/37/38-34
- Safety Description:
- 26-39-24/25-45-36/37/39 Details
- Transport Information:
- UN 2430 8/PG 3
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Chemistry
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
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 500mg/kg (500mg/kg) | Antimicrobial Agents and Chemotherapy. Vol. 19, Pg. 424, 1981. | |
| mouse | LD50 | oral | 5gm/kg (5000mg/kg) | Antimicrobial Agents and Chemotherapy. Vol. 19, Pg. 424, 1981. | |
| mouse | LD50 | subcutaneous | 1320mg/kg (1320mg/kg) | Antimicrobial Agents and Chemotherapy. Vol. 19, Pg. 424, 1981. |
Safety Profile
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)
Specification
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 .
