3,5-Dimethyl-3-heptanol

Base Information

• Chemical Name: 3,5-Dimethyl-3-heptanol
• CAS No.: 19549-74-7
• Molecular Formula: C9H20 O
• Molecular Weight: 144.25
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID80941321
• Nikkaji Number: J2.031.633K
• Mol file: 19549-74-7.mol

Synonyms:3,5-Dimethyl-3-heptanol;19549-74-7;3,5-dimethylheptan-3-ol;3-Heptanol, 3,5-dimethyl-;3,5-Dimethyl-3-heptanol, erythro + threo;Ethyl methyl 2-methylbutyl carbinol;SCHEMBL9954518;DTXSID80941321;MFCD00046585;SB85100;AS-58046;FT-0637874

Chemical Property of 3,5-Dimethyl-3-heptanol

Chemical Property:

• Vapor Pressure: 0.33mmHg at 25°C
• Melting Point: 6.15°C (estimate)
• Refractive Index: 1.4290
• Boiling Point: 176.6°Cat760mmHg
• Flash Point: 70°C
• PSA: 20.23000
• Density: 0.824g/cm³
• LogP: 2.58360
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 144.151415257
• Heavy Atom Count: 10
• Complexity: 90.7

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Dimethyl-3-heptanol, erythro + threo, 98+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CC(C)(CC)O
• Uses: It is used in the synthesis of tertiary 14C-labelled nonylphenol isomers..

Technology Process of 3,5-Dimethyl-3-heptanol

There total 6 articles about 3,5-Dimethyl-3-heptanol 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:

ethylmagnesium bromide (925-90-6) → 3,5-dimethyl-3-heptanol (19549-74-7)

Guidance literature:

With diethyl ether;

Reference yield:

2-methylbutylmagnesium bromide (688-98-2) + butanone (78-93-3) → 3,5-dimethyl-3-heptanol (19549-74-7)

Guidance literature:

With diethyl ether;

DOI:10.1039/jr9300000468

Reference yield:

butanone (78-93-3) → dextrorotatory form,(+)(5S)-3.5-dimethyl-heptanol-(3) (19549-74-7,42072-56-0)

Guidance literature:

upstream raw materials:

2-methylbutylmagnesium bromide

butanone

ethylmagnesium bromide

diethyl ether

Downstream raw materials:

4-[1-ethyl-1,3-dimethylpentyl]phenol