| Identification | More | [Name]
2,4,6-Trimethylphenol | [CAS]
527-60-6 | [Synonyms]
2,4,6-TRIMETHYLPHENOL
HYDROXYMESITYLENE
MESITOL
1,3,5-trimethylphenol
1-Hydroxy-2,4,6-trimethylbenzene
2,4,6-trimethylofenol(polish)
2,4,6-trimethyl-pheno
2,4,6-Trimetylofenol
2-hydroxy-1,3,5-trimethyl-benzen
2-Hydroxymesitylene
Trimethylphenol,98.0%
2,4,6-TRIMETHYLPHENOL, 1000MG, NEAT
2,4,6-TRIMETHYLPHENOL PESTANAL, 250 MG
Phenol, 2,4,6-trimethyl-
2-hydroxymesitylen
mesito
2,4,6-TRIMETHYLPHENOL/MESITOL
Benzene, 2-hydroxy-1,3,5-trimethyl | [EINECS(EC#)]
208-419-2 | [Molecular Formula]
C9H12O | [MDL Number]
MFCD00002235 | [Molecular Weight]
136.19 | [MOL File]
527-60-6.mol |
| Chemical Properties | Back Directory | [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) |
| Safety Data | Back Directory | [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 | Back Directory | [Chemical Properties]
BEIGE CRYSTALLINE NEEDLES | [Uses]
flavors and fragrances | [Production Methods]
2,4,6-Trimethylphenol is the main product (more than 80%) of the gas phase alkylation of phenol with excess methanol (molar ratio 1 : 5) at 450 ℃ on magnesium oxide catalysts, which are doped with alkali or other metal oxides (e.g., V2O5, SrO). 2,6-Xylenol and 2,3,4,6-tetramethylphenol are the main byproducts.
| [Synthesis Reference(s)]
Journal of the American Chemical Society, 107, p. 1060, 1985 DOI: 10.1021/ja00290a053
Synthetic Communications, 18, p. 1207, 1988 DOI: 10.1080/00397918808060912 | [General Description]
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com. | [Flammability and Explosibility]
Notclassified | [Purification Methods]
Crystallise the phenol from water and sublime it in vacuo. [Beilstein 6 IV 3253.] |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,4,6-Trimethylphenol(527-60-6)MS
2,4,6-Trimethylphenol(527-60-6)1HNMR
2,4,6-Trimethylphenol(527-60-6)13CNMR
2,4,6-Trimethylphenol(527-60-6)IR1
2,4,6-Trimethylphenol(527-60-6)IR2
2,4,6-Trimethylphenol(527-60-6)IR3
2,4,6-Trimethylphenol(527-60-6)Raman
2,4,6-Trimethylphenol(527-60-6)ESR
|
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Maya High Purity Chemicals
|
| Telephone: |
+86 (573) 82222445 (0)18006601000 452520369 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm |
|