cis-3-Hexenyl butyrate

Base Information

Chemical Name:cis-3-Hexenyl butyrate
CAS No.:16491-36-4
Molecular Formula:C10H18O2
Molecular Weight:170.252
Hs Code.:
European Community (EC) Number:240-553-7
UNII:O47B839622
DSSTox Substance ID:DTXSID6051772
Nikkaji Number:J118.157B
RXCUI:2000996
Metabolomics Workbench ID:4238
Mol file:16491-36-4.mol

Synonyms:cis-3-hexenyl butyrate

Suppliers and Price of cis-3-Hexenyl butyrate

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

Sigma-Aldrich
cis-3-Hexenyl butyrate natural, ≥95%, FG
100 g
$ 228.00

Sigma-Aldrich
cis-3-Hexenyl butyrate ≥98%, FG
1 kg
$ 219.00

Sigma-Aldrich
cis-3-Hexenyl butyrate natural, ≥95%, FG
1kg-k
$ 219.00

Sigma-Aldrich
cis-3-Hexenyl butyrate ≥98%, FG
1kg-k
$ 219.00

Sigma-Aldrich
cis-3-Hexenyl butyrate natural, ≥95%, FG
1 kg
$ 1350.00

Sigma-Aldrich
cis-3-Hexenyl butyrate natural, ≥95%, FG
500 g
$ 973.00

Sigma-Aldrich
cis-3-Hexenyl butyrate natural, ≥95%, FG
500g-k
$ 943.00

Sigma-Aldrich
cis-3-Hexenyl butyrate ≥98%, FG
4 kg
$ 603.00

Sigma-Aldrich
cis-3-Hexenyl butyrate ≥98%, FG
4kg-k
$ 603.00

Sigma-Aldrich
cis-3-Hexenyl butyrate ≥98%,FG
1 SAMPLE-K
$ 50.00

Total 67 raw suppliers

Chemical Property of cis-3-Hexenyl butyrate

Chemical Property:

Appearance/Colour:clear colorless liquid
Vapor Pressure:0.135mmHg at 25°C
Refractive Index:n20/D 1.431(lit.)
Boiling Point:217.1 °C at 760 mmHg
Flash Point:79 °C
PSA：26.30000
Density:0.892 g/cm³
LogP:2.68600
Storage Temp.:Inert atmosphere,Room Temperature
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:170.130679813
Heavy Atom Count:12
Complexity:139

Purity/Quality:

98.00% ^*data from raw suppliers

cis-3-Hexenyl butyrate natural, ≥95%, FG ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)OCCC=CCC
Isomeric SMILES:CCCC(=O)OCC/C=C\CC
Description cis-3-Hexenyl butyrate has a green, fruity, somewhat buttery aroma. May be synthesized by esterification of cis-3-hexenol with n-butyric acid under azeotropic conditions.

Technology Process of cis-3-Hexenyl butyrate

There total 3 articles about cis-3-Hexenyl butyrate 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:

: 928-96-1
(Z)-3-Hexen-1-ol

: 105-54-4
butanoic acid ethyl ester

: 16491-36-4,53398-84-8
(Z)‐3‐hexenyl butyrate

Guidance literature:: With rape seed lipase; In hexane; at 40 ℃; for 96h; Enzymatic reaction;

Reference yield:

: 928-96-1
(Z)-3-Hexen-1-ol

: 107-92-6
butyric acid

: 16491-36-4,53398-84-8
(Z)‐3‐hexenyl butyrate

Guidance literature:: With lipozym IM (from Mucor miehei); In hexane; at 40 ℃; for 4h; Product distribution; also with Novozym 435 (from Candida antarctica), var. temp., absence of solvent;
DOI:10.1007/s11746-997-0256-0