octyl (2S)-2-methylpentanoate

Base Information

Chemical Name:octyl (2S)-2-methylpentanoate
CAS No.:51183-44-9
Molecular Formula:C14H28 O2
Molecular Weight:228.375
Hs Code.:2915900090
Mol file:51183-44-9.mol

Synonyms:

Suppliers and Price of octyl (2S)-2-methylpentanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of octyl (2S)-2-methylpentanoate

Chemical Property:

Vapor Pressure:0.00918mmHg at 25°C
Boiling Point:265.4°Cat760mmHg
Flash Point:115°C
PSA：26.30000
Density:0.866g/cm³
LogP:4.32630
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:228.208930132
Heavy Atom Count:16
Complexity:166

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCOC(=O)C(C)CCC
Isomeric SMILES:CCCCCCCCOC(=O)[C@@H](C)CCC

Technology Process of octyl (2S)-2-methylpentanoate

There total 4 articles about octyl (2S)-2-methylpentanoate 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: 64.0%

: 111-87-5
octanol

: 97-61-0,22160-39-0
2-Methylpentanoic acid

: 49642-47-9
methyl (R)-2-methylbutyric acid

: 51183-44-9
octyl (+)-2-methylpentanoate

Guidance literature:: With lipase; In n-heptane; at 20 ℃; for 14h; Enzymatic reaction;
DOI:10.1016/S0968-0896(01)00073-6

Reference yield:

: 97-61-0,22160-39-0
2-Methylpentanoic acid

: 51183-44-9
octyl (+)-2-methylpentanoate

Guidance literature:: Multi-step reaction with 2 steps

1: N-methylmorpholine / toluene; diethyl ether / 0.5 h / 0 °C

2: Lipozyme LM / diethyl ether / 0.33 h / Ambient temperature

With 4-methyl-morpholine; Lipozyme LM; In diethyl ether; toluene;
DOI:10.1016/0040-4020(96)00083-X

Reference yield:

: 111-87-5
octanol

: 153814-25-6
C₁₀H₁₈O₄

: 1011254-14-0
(R)-2-Methyl-pentanoic acid octyl ester

: 51183-44-9
octyl (+)-2-methylpentanoate

Guidance literature:: Lyposime (Novo): lipase from Mucor Miehie; In diethyl ether; for 0.333333h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1016/0040-4039(94)85069-0