7-Tridecanol

Base Information

• Chemical Name: 7-Tridecanol
• CAS No.: 927-45-7
• Molecular Formula: C13H28 O
• Molecular Weight: 200.365
• European Community (EC) Number: 653-786-8
• NSC Number: 158536
• DSSTox Substance ID: DTXSID60239112
• Nikkaji Number: J3.653F
• Wikidata: Q27159517
• Mol file: 927-45-7.mol

Synonyms:7-Tridecanol;927-45-7;tridecan-7-ol;NSC158536;4-Bromo-2-amine-pyridin;SCHEMBL664620;CHEBI:87311;DTXSID60239112;MFCD00021955;AKOS014482618;NSC 158536;NSC-158536;AS-76688;BP-29536;FT-0692975;D93272;Q27159517

Chemical Property of 7-Tridecanol

Chemical Property:

• Vapor Pressure: 0.00173mmHg at 25°C
• Melting Point: 26.15°C (estimate)
• Refractive Index: 1.4192 (estimate)
• Boiling Point: 260.8°Cat760mmHg
• PKA: 15.58±0.20(Predicted)
• Flash Point: 105.5°C
• PSA: 20.23000
• Density: 0.831g/cm³
• LogP: 4.28810
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 200.214015512
• Heavy Atom Count: 14
• Complexity: 89.4

Purity/Quality:

99% ^*data from raw suppliers

7-TRIDECANOL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(CCCCCC)O

Technology Process of 7-Tridecanol

There total 2 articles about 7-Tridecanol 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:

heptanal (111-71-7) → hexane (110-54-3) + tridecan-7-ol (927-45-7) + hexanal (66-25-1) + hexan-1-ol (111-27-3)

Guidance literature:

Mechanism; Product distribution; Multistep (oxidation of aldehydes): 1) Co or Mn-stearate, 80-90 deg C, 2) LiAlH₄, further temp.;

Reference yield:

heptanal (111-71-7) + di-tert-butyl peroxide (110-05-4) → hexane (110-54-3) + tridecan-7-ol (927-45-7)

Guidance literature:

at 130 ℃;

Reference yield: 99.0%

tridecan-7-ol (927-45-7) → tridecan-7-one (462-18-0)

Guidance literature:

With N-chloro-succinimide; N-(phenylthio)-N-(tert-butyl)amine; potassium carbonate; 4 A molecular sieve; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/S0040-4020(03)00479-4

upstream raw materials:

heptanal

di-tert-butyl peroxide

Downstream raw materials:

tridecan-7-one

1-hexylheptylamine

Tridecane

tridecan-7-yl 4-methylbenzenesulfonate