2035-93-0

Basic information

• Product Name: 4-methyl-4-phenylpentan-2-ol
• Synonyms: 4-methyl-4-phenylpentan-2-ol;4-Methyl-4-phenyl-2-pentanol;4-Phenyl-4-methyl-2-pentanol;α,γ,γ-Trimethylbenzene-1-propanol;4-Phenyl-4,4-dimethyl-2-butanol;Benzenepropanol, alpha,gamma,gamma-trimethyl-;Einecs 218-002-7;Nsc 245167
• CAS NO: 2035-93-0
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.27072
• EINECS: 218-002-7
• Mol File: 2035-93-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 267.4°Cat760mmHg
• Flash Point: 106.5°C
• Appearance: /
• Density: 0.953g/cm³
• Vapor Pressure: 0.00405mmHg at 25°C
• Refractive Index: 1.504
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 15.12±0.20(Predicted)
• Water Solubility: 1.27g/L at 20℃
• CAS DataBase Reference: 4-methyl-4-phenylpentan-2-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-methyl-4-phenylpentan-2-ol(2035-93-0)
• EPA Substance Registry System: 4-methyl-4-phenylpentan-2-ol(2035-93-0)

Safety Data

• Hazardous Substances Data: 2035-93-0(Hazardous Substances Data)

Usage

Uses

Dimethyl Phenylbutanol is used in preparation of 4-Aryl-4-methyl-2-pentanols as antimicrobials for cosmetics, drugs, and preservatives.

InChI:InChI=1/C12H18O/c1-10(13)9-12(2,3)11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3

Upstream product

• 35293-35-7 2-methyl-2-phenyl-1-propylmagnesium chloride 
• 75-07-0 acetaldehyde 
• 71-43-2 benzene 
• 107-41-5 2-methyl-2,4-pentanediol 
• 7446-70-0 aluminium trichloride 
• 7403-42-1 4-Methyl-4-phenyl-2-pentanone 
• 64-17-5 ethanol 
• 141-79-7 4-methyl-pent-3-en-2-one 

Downstream Products

• 1223578-63-9 (RS)-4-methyl-4-phenyl-2-pentyl butyrate 
• 104198-10-9 Nitrooxy-acetic acid 1,3-dimethyl-3-phenyl-butyl ester 
• 99457-86-0 Oxo-acetic acid 1,3-dimethyl-3-phenyl-butyl ester 
• 161236-90-4 4-methyl-4-phenyl-pent-2-ene 
• 33603-38-2 ((Z)-1,1-dimethyl-but-2-enyl)benzene 
• 28457-10-5 4-Brom-2-methyl-2-phenyl-pentan 
• 33484-54-7 2-Chloro-4-methyl-4-phenylpentane 
• 104198-02-9 Bromo-acetic acid 1,3-dimethyl-3-phenyl-butyl ester 

Relevant articles and documents

Stereoselective radical Aryl migration reactions from sulfur to carbon

Stereoselective aryl migration reactions from sulfur in sulfonates and sulfonamides to C-centered radicals are reported. The 1,5-aryl migration from sulfur to differently substituted C-centered radicals could be performed with high yields and selectivities. Functionalized aryl groups could also be transferred by this new method. A model to explain the stereochemical outcome of the reaction is presented and some mechanistic aspects of this reaction are discussed. Aryl migration reactions from sulfur in sulfinates to carbon radicals were less efficient, and the corresponding migrations in aryl sulfoxides were not observed at all. Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.