2-Methyl-6-propylphenol

Base Information

• Chemical Name: 2-Methyl-6-propylphenol
• CAS No.: 3520-52-3
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 2907199090
• European Community (EC) Number: 636-882-4
• NSC Number: 65610
• DSSTox Substance ID: DTXSID90289923
• Nikkaji Number: J284.009J
• Wikidata: Q82027461
• Mol file: 3520-52-3.mol

Synonyms:2-Methyl-6-propylphenol;3520-52-3;Phenol, 2-methyl-6-propyl-;2-propyl-6-methylphenol;NSC65610;2-methyl-6-propyl-phenol;NCIOpen2_000189;F9995-1188;SCHEMBL1005722;DTXSID90289923;NSC 65610;NSC-65610;AKOS006342809;CCG-358825;EN300-206717;A1-28929;26615-74-7

Chemical Property of 2-Methyl-6-propylphenol

Chemical Property:

• Vapor Pressure: 0.0465mmHg at 25°C
• Melting Point: 46.81°C (estimate)
• Refractive Index: 1.5104 (estimate)
• Boiling Point: 229.3°Cat760mmHg
• PKA: 10.83±0.10(Predicted)
• Flash Point: 101.5°C
• PSA: 20.23000
• Density: 0.978g/cm³
• LogP: 2.65310
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 111

Purity/Quality:

99%min ^*data from raw suppliers

2-methyl-6-propylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC1=CC=CC(=C1O)C

Technology Process of 2-Methyl-6-propylphenol

There total 16 articles about 2-Methyl-6-propylphenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 57.0%

cis-2-ethynyl-3-(prop-1-en-2-yl)-2-propyloxirane → 2-methyl-6-propylphenol (3520-52-3)

Guidance literature:

[(tris(1-pyrazolyl)borate)Ru(P(phenyl)3)(CH₃CN)2]PF₆; In toluene; at 100 ℃; for 16h;

DOI:10.1055/s-2006-926255

Reference yield:

Opt.-inakt. 2-Hydroxy-1-methyl-3-propyl-cyclohexan (854435-80-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-propyl, 1-methylcyclohexane (4291-80-9) + 1-Methyl-3-propylbenzene (1074-43-7) + 2-methyl-6-propylphenol (3520-52-3)

Guidance literature:

at 300 - 350 ℃; under 110326 Torr;

DOI:10.1021/ja01850a050

Reference yield:

Opt.-inakt. 2-Hydroxy-1-methyl-3-propyl-cyclohexan (854435-80-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-propyl, 1-methylcyclohexane (4291-80-9) + 1-Methyl-3-propylbenzene (1074-43-7) + 2-methyl-6-propylphenol (3520-52-3)

Guidance literature:

at 300 - 350 ℃; under 110326 Torr;

DOI:10.1021/ja01850a050

upstream raw materials:

1-(2-hydroxy-3-methyl-phenyl)-propan-1-one

2-((E)-prop-1-enyl)-6-methylphenol

2-methoxy-1,3-dimethylbenzene

2,6-dimethyl-1-ethoxylbenzene

Downstream raw materials:

2-methyl-6-propylphenoxyacetic acid

4,N-dihydroxy-3-methyl-5-propyl-benzamidine

acetic acid-(2-methyl-6-propyl-phenyl ester)

2-methyl-6-propyl-[1,4]benzoquinone-4-oxime

Refernces

• 1、 Maddirala, Shambabu Joseph,Odedra, Arjan,Taduri, Bhanu Pratap,Liu, Rai-Shung. "Ruthenium-catalyzed rearrangement of cis-1-ethynyl-2-vinyloxiranes to substituted phenols". . p. 1173 - 1176. Retrieved 2007/10/03.