2,5-Dimethylbenzyl alcohol

Base Information

• Chemical Name: 2,5-Dimethylbenzyl alcohol
• CAS No.: 53957-33-8
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• Hs Code.: 2906299090
• European Community (EC) Number: 258-888-2
• UNII: FV54WL55MW
• DSSTox Substance ID: DTXSID20202246
• Nikkaji Number: J101.202I
• Wikidata: Q83075519
• Mol file: 53957-33-8.mol

Synonyms:2,5-Dimethylbenzyl alcohol;53957-33-8;(2,5-Dimethylphenyl)methanol;Benzenemethanol, 2,5-dimethyl-;2,5-Dimethylbenzylalcohol;EINECS 258-888-2;AI3-21553;2,5-Dimethylbenzenemethanol;FV54WL55MW;SCHEMBL92914;2,5-Dimethyl-benzenemethanol;(2,5-Dimethylphenyl)methanol #;2'-Oxy-1.2.4-trimethylbenzol;DTXSID20202246;2,5-Dimethyl-hydroxymethylbenzene;MFCD00004625;AKOS009156840;SB84045;BS-22300;CS-0205962;FT-0610463;EN300-1232086

Chemical Property of 2,5-Dimethylbenzyl alcohol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0318mmHg at 25°C
• Melting Point: 40-42 °C
• Refractive Index: 1.535-1.537
• Boiling Point: 233 °C at 760 mmHg
• PKA: 14?+-.0.10(Predicted)
• Flash Point: 107.2 °C
• PSA: 20.23000
• Density: 1.002 g/cm³
• LogP: 1.79570
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Difficult in mix.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dimethylbenzenemethanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)CO
• Uses: 2,5-Dimethylbenzyl alcohol, is used as a self-indicating standard for the determination of organ lithium reagents

Technology Process of 2,5-Dimethylbenzyl alcohol

There total 17 articles about 2,5-Dimethylbenzyl alcohol 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: 34.0%

1,2,4-Trimethylbenzene (95-63-6) → 2,4-dimethylbenzyl alcohol (16308-92-2) + Trimethylhydroquinone (700-13-0) + 2,4,5-trimethylphenol (496-78-6) + 2,5-dimethylbenzyl alcohol (53957-33-8)

Guidance literature:

With glucose dehydrogenase; D-glucose; P₄₅₀ BM₃ R₄₇S, Y₅₁W mutant; NADPH; catalase; ascorbic acid; In aq. phosphate buffer; dimethyl sulfoxide; pH=7.5; Catalytic behavior; Enzymatic reaction;

DOI:10.1002/chem.201703647

Reference yield: 8.0%

1,2,4-Trimethylbenzene (95-63-6) → 2,4-dimethylbenzyl alcohol (16308-92-2) + Trimethylhydroquinone (700-13-0) + 2,4,5-trimethylphenol (496-78-6) + 2,3,6-trimethylphenol (2416-94-6) + 2,3,5-trimethylphenol (697-82-5) + 2,5-dimethylbenzyl alcohol (53957-33-8)

Guidance literature:

With glucose dehydrogenase; D-glucose; P₄₅₀ BM₃ R₄₇S, Y₅₁W, A₃₃₀F, I₄₀₁M mutant; NADPH; catalase; ascorbic acid; In aq. phosphate buffer; dimethyl sulfoxide; pH=7.5; Catalytic behavior; Enzymatic reaction;

DOI:10.1002/chem.201703647

Reference yield: 8.0%

1,2,4-Trimethylbenzene (95-63-6) → 2,4-dimethylbenzyl alcohol (16308-92-2) + 3,4-dimethylbenzyl alcohol (6966-10-5) + 2,4,5-trimethylphenol (496-78-6) + 2,3,6-trimethylphenol (2416-94-6) + 2,3,5-trimethylphenol (697-82-5) + 2,5-dimethylbenzyl alcohol (53957-33-8)

Guidance literature:

With glucose dehydrogenase; D-glucose; P₄₅₀ BM₃; NADPH; catalase; ascorbic acid; In aq. phosphate buffer; dimethyl sulfoxide; pH=7.5; Catalytic behavior; Enzymatic reaction;

DOI:10.1002/chem.201703647

upstream raw materials:

2,5-dimethylbenzaldehyde

2,5-dimethylbenzyl acetate

2,5-dimethylbenzyl chloride

2,5-dimethyl-benzoic acid-(N-methyl-anilide)

Downstream raw materials:

2,5-dimethylbenzyl chloride

(2,5-dimethylphenyl)acetonitrile

2-(2,5-dimethylphenyl)-1-phenylethan-1-one

4-(2,5-dimethylbenzyloxymethyl)piperidin-1-ylsulphonylmethane

Refernces

• 1、 Dennig, Alexander,Weingartner, Alexandra Maria,Kardashliev, Tsvetan,Müller, Christina Andrea,Tassano, Erika,Schürmann, Martin,Ruff, Anna Jo?lle,Schwaneberg, Ulrich. "An Enzymatic Route to α-Tocopherol Synthons: Aromatic Hydroxylation of Pseudocumene and Mesitylene with P450 BM3". . p. 17981 - 17991. Retrieved 2017/11/29.
• 2、 Kaithal, Akash,Chatterjee, Basujit,Gunanathan, Chidambaram. "Ruthenium Catalyzed Selective Hydroboration of Carbonyl Compounds". . p. 4790 - 4793. Retrieved 2015/10/12.