Cas no 2416-94-6 (2,3,6-Trimethylphenol)

2,3,6-Trimethylphenol is a substituted phenol derivative characterized by three methyl groups at the 2, 3, and 6 positions of the aromatic ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the production of antioxidants, fragrances, and specialty chemicals. Its sterically hindered phenolic structure enhances stability, making it useful in applications requiring oxidative resistance. The compound exhibits moderate solubility in organic solvents and limited solubility in water, facilitating its use in controlled reaction conditions. Its well-defined molecular structure allows for precise functionalization, enabling tailored modifications for advanced chemical processes. Proper handling is advised due to potential irritant properties.
2,3,6-Trimethylphenol structure
2,3,6-Trimethylphenol structure
Product Name:2,3,6-Trimethylphenol
CAS No:2416-94-6
MF:C9H12O
MW:136.190982818604
MDL:MFCD00002229
CID:42914
PubChem ID:17016
Update Time:2026-05-14

2,3,6-Trimethylphenol Chemical and Physical Properties

Names and Identifiers

    • 2,3,6-Trimethylphenol
    • 2,3,6-Trimethylphenolneat
    • 1-Hydroxy-2,3,6-trimethylbenzene
    • 2,3,6-tri-methylphenol
    • 3-Hydroxypseudocumene
    • DSSTox_CID_2187
    • EINECS 219-330-3
    • Phenol,2,3,6-trimethyl
    • NSC 91509
    • Phenol, 2,3,6-trimethyl-
    • 2,3,6-trimethyl-phenol
    • 2,3,6-TRIMETHYL PHENOL
    • fema 3963
    • 05WKL2L5LJ
    • QQOMQLYQAXGHSU-UHFFFAOYSA-N
    • DSSTox_RID_76518
    • DSSTox_GSID_22187
    • NSC91509
    • trimethylphenol,95%
    • PubChem24006
    • 2,5,6-trimethylphenol
    • 2,3,6-trimethyl-pheno
    • phenol,2,3,6-trimethyl-
    • KSC49
    • MDL: MFCD00002229
    • Inchi: 1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3
    • InChI Key: QQOMQLYQAXGHSU-UHFFFAOYSA-N
    • SMILES: O([H])C1=C(C([H])([H])[H])C([H])=C([H])C(C([H])([H])[H])=C1C([H])([H])[H]

Computed Properties

  • Exact Mass: 136.08900
  • Monoisotopic Mass: 136.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 111
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 9
  • XLogP3: 2.7
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: White or yellowish solid
  • Density: 0.940
  • Melting Point: 62.0 to 66.0 deg-C
  • Boiling Point: 120°C/11mmHg(lit.)
  • Flash Point: 100
  • Refractive Index: 1.5115 (estimate)
  • Solubility: methanol: 0.1?g/mL, clear
  • PSA: 20.23000
  • LogP: 2.31740
  • Solubility: Not determined
  • FEMA: 3963 | 2,3,6-TRIMETHYLPHENOL

2,3,6-Trimethylphenol Security Information

  • Symbol: GHS05
  • Prompt:dangerous
  • Signal Word:warning
  • Hazard Statement: H314
  • Warning Statement: P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
  • Hazardous Material transportation number:UN 2430 8/PG 3
  • WGK Germany:1
  • Hazard Category Code: R36/37/38
  • Safety Instruction: S26-S39-S24/25-S45-S36/37/39
  • Hazardous Material Identification: Xi
  • Packing Group:III
  • Hazard Level:8
  • HazardClass:8
  • PackingGroup:III
  • TSCA:Yes
  • Risk Phrases:R36/37/38
  • Packing Group:III
  • Safety Term:8
  • Storage Condition:Keep in a cool, dry, dark place, in a sealed container or cylinder. Keep away from incompatible materials, sources of ignition, and untrained people. Safety label area. Protect container / cylinder from physical injury.

2,3,6-Trimethylphenol Customs Data

  • HS CODE:2907199090
  • Customs Data:

    China Customs Code:

    2907199090

    Overview:

    2907199090 Other monophenols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2,3,6-Trimethylphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.
T0877-500G
2,3,6-Trimethylphenol
2416-94-6 >98.0%(GC)
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¥850.00 2024-04-17
A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI
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Ambeed
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$13.0 2024-04-20
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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Fluorochem
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Fluorochem
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abcr
AB143353-25 g
2,3,6-Trimethylphenol, 95%; .
2416-94-6 95%
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€44.90 2023-05-09
abcr
AB143353-500 g
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€172.60 2023-05-09
TRC
T219495-5g
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$ 50.00 2022-06-03

2,3,6-Trimethylphenol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium ,  Chromium chloride (CrCl3) Solvents: Methanol ;  4 h, 2 MPa, 280 °C
Reference
Insight into the solvent, temperature and time effects on the hydrogenolysis of hydrolyzed lignin
Shu, Riyang; Zhang, Qi; Ma, Longlong; Xu, Ying; Chen, Pengru; et al, Bioresource Technology, 2016, 221, 568-575

Production Method 2

Reaction Conditions
1.1 Catalysts: Sodium hydroxide Solvents: Methanol ;  7 h, 220 °C
Reference
Thermochemical lignin depolymerization and conversion to aromatics in subcritical methanol: effects of catalytic conditions
Singh, Sunit Kumar; et al, New Journal of Chemistry, 2016, 40(4), 3677-3685

2,3,6-Trimethylphenol Raw materials

2,3,6-Trimethylphenol Preparation Products

2,3,6-Trimethylphenol Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:2416-94-6)三甲基苯酚
Order Number:LE1690402;LE1812
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:33
Price ($):discuss personally
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:2416-94-6)2,3,6-Trimethylphenol
Order Number:sfd1844
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:32
Price ($):discuss personally

2,3,6-Trimethylphenol Related Literature

Additional information on 2,3,6-Trimethylphenol

Comprehensive Guide to 2,3,6-Trimethylphenol (CAS No. 2416-94-6): Properties, Applications, and Industry Trends

2,3,6-Trimethylphenol (CAS No. 2416-94-6) is a versatile organic compound widely used in industrial and research applications. This trimethylated phenol derivative is known for its unique chemical structure, which contributes to its reactivity and utility in various synthetic processes. With the growing demand for specialty chemicals, this compound has garnered significant attention in fields such as pharmaceutical intermediates, flavor and fragrance production, and polymer stabilization.

The molecular formula of 2,3,6-Trimethylphenol is C9H12O, featuring three methyl groups attached to a phenol ring. This structure enhances its solubility in organic solvents while retaining phenolic properties like acidity and hydrogen bonding. Researchers often explore its role in oxidation reactions and as a precursor for high-performance resins. Recent studies highlight its potential in green chemistry applications, aligning with the global shift toward sustainable manufacturing.

One of the most searched questions about CAS No. 2416-94-6 is its safety profile and environmental impact. While not classified as hazardous under standard regulations, proper handling protocols are recommended due to its phenolic nature. Industry professionals frequently inquire about its synthesis methods, with newer catalytic processes reducing energy consumption—a hot topic in circular economy discussions. The compound’s stability under heat also makes it relevant for thermal material research.

In the flavor and fragrance industry, 2,3,6-Trimethylphenol serves as a building block for smoky or woody notes, catering to consumer demand for natural-inspired aromas. Its derivatives appear in food-grade antioxidants, addressing clean-label trends. Meanwhile, material scientists value its electron-donating methyl groups for designing UV-resistant coatings—a growing niche due to increased solar panel and automotive coating demands.

Analytical techniques like GC-MS and HPLC are commonly employed to verify the purity of 2416-94-6, especially for pharmaceutical applications where impurity thresholds are critical. The compound’s chromatographic behavior is frequently discussed in academic forums, with optimized methods being shared among analytical chemistry communities. This aligns with the broader industry focus on quality control automation and digital chromatography solutions.

Market analysts note rising demand for trimethylphenol isomers in Asia-Pacific regions, driven by expanding agrochemical formulations and electronic material production. Patent filings reveal innovative uses in flexible electronics and biodegradable plastics, connecting this classic compound to cutting-edge technologies. Such developments make 2,3,6-Trimethylphenol a compelling case study in chemical repurposing strategies.

Storage recommendations for CAS 2416-94-6 typically emphasize protection from light and moisture, with nitrogen blanketing suggested for large-scale preservation. These protocols resonate with current smart storage trends incorporating IoT sensors for real-time quality monitoring. Suppliers increasingly provide COA documentation with detailed isotopic purity data, reflecting heightened quality expectations in regulated industries.

Future research directions may explore 2,3,6-Trimethylphenol’s role in carbon capture materials or battery electrolyte additives, areas gaining traction in energy transition debates. Its structural analogs are already being screened for biological activity, tapping into the computational chemistry boom. As industries prioritize multifunctional additives, this compound’s balanced properties position it for continued relevance across evolving technological landscapes.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:2416-94-6)三甲基苯酚
LE1690402;LE1812
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email
Suzhou Senfeida Chemical Co., Ltd
(CAS:2416-94-6)2,3,6-Trimethylphenol
sfd1844
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email