- Insight into the solvent, temperature and time effects on the hydrogenolysis of hydrolyzed ligninShu, Riyang; Zhang, Qi; Ma, Longlong; Xu, Ying; Chen, Pengru; et al, Bioresource Technology, 2016, 221, 568-575
Cas no 2416-94-6 (2,3,6-Trimethylphenol)
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:
- 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:
- 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:
2907199090Overview:
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) | 500g |
¥850.00 | 2024-04-17 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | H60489-25g |
2,3,6-Trimethylphenol, 95% |
2416-94-6 | 36-Trimethylphenol 95% | 25g |
16.30 | 2021-05-24 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | H60489-100g |
2,3,6-Trimethylphenol, 95% |
2416-94-6 | 36-Trimethylphenol 95% | 100g |
51.50 | 2021-05-24 | |
| Ambeed | A365480-25g |
2,3,6-Trimethylphenol |
2416-94-6 | 98% | 25g |
$13.0 | 2024-04-20 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T830204-1kg |
2,3,6-Trimethylphenol |
2416-94-6 | 98% | 1kg |
1,098.00 | 2021-05-17 | |
| Fluorochem | 224603-25g |
2,3,6-Trimethylphenol |
2416-94-6 | 95% | 25g |
£14.00 | 2022-02-28 | |
| Fluorochem | 224603-500g |
2,3,6-Trimethylphenol |
2416-94-6 | 95% | 500g |
£94.00 | 2022-02-28 | |
| abcr | AB143353-25 g |
2,3,6-Trimethylphenol, 95%; . |
2416-94-6 | 95% | 25g |
€44.90 | 2023-05-09 | |
| abcr | AB143353-500 g |
2,3,6-Trimethylphenol, 95%; . |
2416-94-6 | 95% | 500g |
€172.60 | 2023-05-09 | |
| TRC | T219495-5g |
2,3,6-Trimethylphenol |
2416-94-6 | 5g |
$ 50.00 | 2022-06-03 |
2,3,6-Trimethylphenol Production Method
Production Method 1
Production Method 2
2,3,6-Trimethylphenol Raw materials
2,3,6-Trimethylphenol Preparation Products
- 2-tert-butyl-5-methylphenol (88-60-8)
- Hexamethylbenzene (87-85-4)
- 2',4'-Dimethoxypropiophenone (831-00-5)
- 2-tert-Butyl-4-hydroxyanisole (88-32-4)
- Phenol,2-ethyl-4,5-dimethyl- (2219-78-5)
- Tetramethylhydroquinone (527-18-4)
- 2-Ethyl-1,4-dimethylbenzene (1758-88-9)
- 1-Naphthalenecarboxaldehyde, 4,6-dimethoxy- (65565-33-5)
- Phenol,2-(1,1-dimethylethyl)-3-methyl- (13037-79-1)
- Benzene,1-ethyl-3,5-bis(1-methylethyl)- (15181-13-2)
- Benzene,1,4-diethyl-2-methyl- (13632-94-5)
- 2-methoxy-4-methyl-6-(prop-2-en-1-yl)phenol (77879-82-4)
- 2-Phenylethyl-1,1,2,2-d4-amine (876-20-0)
- 4-Ethoxy-3-methoxytoluene (33963-27-8)
- 4-Ethyltoluene (622-96-8)
- 2-Ethyl-6-methylphenol (1687-64-5)
- o-Cymene (527-84-4)
- 1,2,3,4,5-pentamethylbenzene (700-12-9)
2,3,6-Trimethylphenol Suppliers
2,3,6-Trimethylphenol Related Literature
-
Shenzhen Chang,Yanhong Chen,Haiyan An,Qingshan Zhu,Huiyun Luo,Yaohui Huang Green Chem. 2021 23 8591
-
Sunit Kumar Singh,Kunal Nandeshwar,Jayant D. Ekhe New J. Chem. 2016 40 3677
-
Fei Yan,Zhe Wen,Kai Wu,Kai Cui,Fuhang Mai,Zewei Ma,Yushuai Sang,Yunfei Bai,Hong Chen,Yongdan Li Catal. Sci. Technol. 2019 9 1922
-
Fei Yan,Zhe Wen,Kai Wu,Kai Cui,Fuhang Mai,Zewei Ma,Yushuai Sang,Yunfei Bai,Hong Chen,Yongdan Li Catal. Sci. Technol. 2019 9 1922
-
Yangming Lin,Zhenbao Feng,Linhui Yu,Qinging Gu,Shuchang Wu,Dang Sheng Su Chem. Commun. 2017 53 4834
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.
2416-94-6 (2,3,6-Trimethylphenol) Related Products
- 1300-71-6(Dimethylphenol)
- 608-43-5(2,3-Xylohydroquinone)
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- 2785-76-4(3,4-dimethylbenzene-1,2-diol)
- 496-78-6(2,4,5-trimethylphenol)
- 362049-46-5(2,3,5-Trimethylphenol-d11)
- 26998-80-1(Phenol, trimethyl-)
- 1321-28-4(1,4-Benzenediol,dimethyl-)
- 700-13-0(Trimethylhydroquinone)
- 697-82-5(2,3,5-Trimethyphenol)