Heptyl decanoate

Base Information

• Chemical Name: Heptyl decanoate
• CAS No.: 60160-17-0
• Molecular Formula: C17H34O2
• Molecular Weight: 270.456
• Hs Code.: 2915900090
• European Community (EC) Number: 262-089-4
• DSSTox Substance ID: DTXSID30208895
• Nikkaji Number: J115.103G
• Wikidata: Q63409735
• Mol file: 60160-17-0.mol

Synonyms:Heptyl decanoate;60160-17-0;Heptyl caprate;n-Capric acid n-heptyl ester;Decanoic acid, heptyl ester;EINECS 262-089-4;heptandecanoate;Heptyl decanoate #;Capric acid heptyl ester;Decanoic acid,heptylester;Heptyl decanoate, AldrichCPR;SCHEMBL333638;DTXSID30208895;MFCD00059455;FT-0739263;5-Methyl-3-thiophenecarboxylic acid methyl ester;Q63409735

Chemical Property of Heptyl decanoate

Chemical Property:

• Boiling Point: 320.3 °C at 760 mmHg
• Flash Point: 149.3 °C
• PSA: 26.30000
• Density: 0.865g/cm³
• LogP: 5.64070
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 270.255880323
• Heavy Atom Count: 19
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

N-CAPRIC ACID-N-HEPTYL ESTER 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC(=O)OCCCCCCC

Technology Process of Heptyl decanoate

There total 3 articles about Heptyl decanoate 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: 50.0%

2-Heptanol (52390-72-4,543-49-7) + 1-decanoic acid (334-48-5) → 2-heptyl decanoate (60160-17-0)

Guidance literature:

With sulfuric acid; at 120 ℃; for 3h;

DOI:10.1016/0031-9422(88)80658-7

Reference yield:

n-heptan1ol (111-70-6) + 4-nitrophenyl decanoate (1956-09-8) → 2-heptyl decanoate (60160-17-0)

Guidance literature:

With induced mycelium-bound lipase from Aspergillus niger MYA 135; In hexane; acetone; at 37 ℃; for 1h; Reagent/catalyst; Enzymatic reaction;

DOI:10.1007/s10562-012-0901-6

Reference yield:

non-1-ene (124-11-8) + n-heptan1ol (111-70-6) + carbon monoxide (201230-82-2) → 2-heptyl decanoate (60160-17-0) + 2-Methyl-nonanoic acid heptyl ester

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; tin(ll) chloride; In acetone; for 6h; under 9880 Torr; Product distribution; influence of additions of SnCl₂ on the yield and regioselectivity of the hydrocarboalkoxylation reaction;

DOI:10.1007/BF00955804

upstream raw materials:

non-1-ene

n-heptan1ol

carbon monoxide

2-Heptanol

Refernces

• 1、 Kinderlerer, Judith L.,Hatton, Paul V.,Chapman, Amanda J.,Rose, Malcolm E.. "ESSENTIAL OIL PRODUCED BY CHRYSOSPORIUM XEROPHILUM IN COCONUT". . p. 2761 - 2764. Retrieved 2007/10/02.
• 2、 Terekhova, M. I.,Karpyuk, A. D.,Kolosova, N. D.,Petrov, E. S.,Beletskaya, I. P.. "INFLUENCE OF SMALL ADDITIONS OF SnCl2 ON THE YIELD AND REGIOSELECTIVITY OF THE HYDROCARBOALKOXYLATION REACTION IN THE ACETONE - PdCl2 -PPh3 SYSTEM AT LOW CO PRESSURES". . p. 2176. Retrieved 2007/10/02.