5-Methyl-3-heptanol

Base Information

• Chemical Name: 5-Methyl-3-heptanol
• CAS No.: 18720-65-5
• Molecular Formula: C8H18O
• Molecular Weight: 130.23
• Hs Code.: 2905199090
• European Community (EC) Number: 242-531-2
• DSSTox Substance ID: DTXSID90871286
• Nikkaji Number: J110.661I
• Wikidata: Q106956341
• Mol file: 18720-65-5.mol

Synonyms:5-Methyl-3-heptanol;5-Methylheptan-3-ol;18720-65-5;3-Heptanol, 5-methyl-;AI3-28629;EINECS 242-531-2;3-Methyl-5-heptanol;5-methyl-heptan-3-ol;3-Heptanol,5-methyl-;SCHEMBL106138;SECKOSOTZOBWEI-UHFFFAOYSA-;DTXSID90871286;MFCD00021920;AKOS000249478;SB85074;AS-57191;CS-0333760;M1223;D91467;A880598;W-108992

Chemical Property of 5-Methyl-3-heptanol

Chemical Property:

• Vapor Pressure: 0.558mmHg at 25°C
• Melting Point: -91 °C
• Refractive Index: 1.424
• Boiling Point: 167.5 °C at 760 mmHg
• PKA: 15.28±0.20(Predicted)
• Flash Point: 64.2 °C
• PSA: 20.23000
• Density: 0.819 g/cm³
• LogP: 2.19350
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 61.6

Purity/Quality:

97% ^*data from raw suppliers

5-Methyl-3-heptanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)CC(CC)O

Technology Process of 5-Methyl-3-heptanol

There total 17 articles about 5-Methyl-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: 92.0%

5-methyl-3-heptanone (541-85-5) → 5-methyl-3-heptanol (18720-65-5)

Guidance literature:

With formic acid; sodium formate; (η⁵-C4Ph4COHOC4Ph4-η⁵)(μ-H)(CO)4Ru2; In water; at 100 ℃; for 15h;

DOI:10.1016/0022-328X(95)05995-2

Reference yield: 60.0%

iso-butanol (78-92-2,15892-23-6) → 5-methyl-3-heptanol (18720-65-5) + 5-methyl-3-heptanone (541-85-5)

Guidance literature:

In o-xylene; at 144 ℃; for 24h;

DOI:10.1016/j.apcata.2013.04.040

Reference yield: 8.8%

iso-butanol (78-92-2,15892-23-6) → 5-methyl-3-heptanol (18720-65-5)

Guidance literature:

With calcium carbide; at 275 ℃; for 6h; Autoclave;

DOI:10.1039/c9ra02568e

upstream raw materials:

5-methyl-hept-5-en-3-one

5-methyl-4-hepten-3-one

butanone

iso-butanol

Downstream raw materials:

5-methyl-3-heptanone