2,4-Dimethyl-2-pentanol

Base Information

• Chemical Name: 2,4-Dimethyl-2-pentanol
• CAS No.: 625-06-9
• Molecular Formula: C7H16 O
• Molecular Weight: 116.203
• European Community (EC) Number: 210-877-3
• NSC Number: 87555
• UNII: 5386E25C2L
• DSSTox Substance ID: DTXSID60211534
• Nikkaji Number: J95.490J
• Wikidata: Q83086489
• Mol file: 625-06-9.mol

Synonyms:2,4-DIMETHYL-2-PENTANOL;625-06-9;2,4-Dimethylpentan-2-ol;Isobutyldimethylcarbinol;2-Pentanol, 2,4-dimethyl-;EINECS 210-877-3;NSC 87555;NSC-87555;5386E25C2L;NSC87555;2-Pentanol,4-dimethyl-;2,4-Dimethylpentan-2-o;2,4-dimethyl-pentan-2-ol;SCHEMBL60827;UNII-5386E25C2L;DTXSID60211534;2,4-Dimethyl-2-pentanol, 96%;AMY25737;MFCD00021811;AKOS009158341;CS-0454305;FT-0610155;F87366

Chemical Property of 2,4-Dimethyl-2-pentanol

Chemical Property:

• Vapor Pressure: 3.76mmHg at 25°C
• Melting Point: -30.45°C (estimate)
• Refractive Index: 1.4170
• Boiling Point: 132-134°C
• PKA: 15.38±0.29(Predicted)
• Flash Point: 38°C
• Density: 0,81 g/cm3
• Water Solubility.: 13.22g/L(25 oC)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 116.120115130
• Heavy Atom Count: 8
• Complexity: 64.8

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dimethyl-2-pentanol ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CC(C)(C)O
• Uses: 2,4-Dimethyl-2-pentanol is used in the development of two reliable aqueous solubility models ASMS (aq. soly. based on mol. surface) and ASMS-?LOGP (aq. soly. based on mol. surface using calcd. log P (ClogP).

Technology Process of 2,4-Dimethyl-2-pentanol

There total 23 articles about 2,4-Dimethyl-2-pentanol 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: 80.0%

2-(1,1,3-trimethyl-butoxy)-tetrahydro-pyran → 2,4-dimethyl-2-pentanol (625-06-9)

Guidance literature:

With copper dichloride; In methanol; at 20 ℃;

DOI:10.1080/00397910008086870

Reference yield: 45.0%

2,4-dimethylpentane (108-08-7) → 2,4-dimethyl-2-pentanol (625-06-9)

Guidance literature:

With O(³P); Product distribution;

Reference yield: 31.0%

4-Hydroxy-4-methyl-2-pentanone (123-42-2) + CH3Cl2Cr (95673-88-4) → 2,4-dimethylpentane-2,4-diol (24892-49-7,139687-48-2) + 2,4-dimethyl-2-pentanol (625-06-9)

Guidance literature:

With 4-methyl-2-pentanone; In tetrahydrofuran;

upstream raw materials:

3-isopropyl-2,2-dimethyl-oxirane

methyl magnesium iodide

Ethyl isovalerate

methyl 3-methylbutanoate

Downstream raw materials:

2,4-dimethylpentane

2,4-dimethyl-2-pentene

4-Nitro-benzoic acid 1,1,3-trimethyl-butyl ester

2,4-dimethyl-1-pentene

Refernces

• 1、 Gekhman,Stolyarov,Ershova,Moiseeva,Moiseev. "C-C bond cleavage in oxidation of aliphatic hydrocarbons under mild conditions in the Vv/H2O2/AcOH system". . p. 150 - 153. Retrieved 2007/10/03.
• 2、 Kauffmann, Thomas,Moeller, Thomas,Rennefeld, Heidi,Welke, Siegfried,Wieschollek, Raphael. "Stark bevorzugte Alkylierung und Carbonylolefinierung von α- und β-Hydroxycarbonylverbindungen durch Organouebergangsmetallreagentien in Konkurrenzversuchen mit entsprechenden OH-freien Verbindungen". . p. 351 - 352. Retrieved 2007/10/02.