cis-3-Hexenyl hexanoate

Base Information Edit

Chemical Name:cis-3-Hexenyl hexanoate
CAS No.:31501-11-8
Deprecated CAS:82780-67-4
Molecular Formula:C12H22O2
Molecular Weight:198.305
Hs Code.:29159000
European Community (EC) Number:250-661-6
UNII:UYX8RFU917
DSSTox Substance ID:DTXSID7047560
Nikkaji Number:J118.171H
Wikidata:Q27291338
RXCUI:2000995
Metabolomics Workbench ID:4239
ChEMBL ID:CHEMBL3187552
Mol file:31501-11-8.mol

Synonyms:cis-3-Hexenyl hexanoate;31501-11-8;cis-3-Hexenyl caproate;(Z)-3-hexenyl hexanoate;cis-3-Hexenyl hexoate;(Z)-Hex-3-enyl hexanoate;Hexanoic acid, (3Z)-3-hexenyl ester;Hexanoic acid, 3-hexenyl ester, (Z)-;cis-Hexanoic acid, 3-hexenyl ester;3-Hexenyl hexanoate, (Z)-;FEMA No. 3403;(3Z)-Hex-3-en-1-yl hexanoate;Hexanoic acid, (3Z)-3-hexen-1-yl ester;3-Hexenyl hexanoate, cis-;cis-3-Hexenyl caproate (hexanoate);(3Z)-3-Hexenyl hexanoate;cis-3-Hexen-1-yl Hexanoate;[(Z)-hex-3-enyl] hexanoate;3-Hexenyl hexanoate, (3Z)-;EINECS 250-661-6;cis-3-Hexenyl n-hexanoate;Fema 3403;UNII-UYX8RFU917;BRN 2326469;UYX8RFU917;(z)-3-hexen-1-yl hexanoate;3-Hexen-1-ol hexanoate, cis;AI3-35959;DTXSID7047560;(Z)-3-Hexen-1-ol, hexanoate;cis-3-Hexenyl caproate (hexanoate) (natural);n-Caproic acid cis-3-hexenyl ester;Hexanoic Acid cis-3-Hexen-1-yl Ester;n-Caproic acid cis-3-hexen-1-yl ester;WE(6:1(3Z)/6:0);Hexanoic acid, 3-hexenyl ester;(Z) - hex - 3 - enyl hexanoate;MFCD00036552;Cis-beta -hexenyl caproate;cis-.beta.-Hexenyl Caproate;Hexanoate(Z)-3-Hexen-1-ol;SCHEMBL310613;CHEMBL3187552;DTXCID5027560;3Z-Hexenyl Caproate (Hexanoate);CHEBI:171813;RGACQXBDYBCJCY-ALCCZGGFSA-N;3-Hexenyl ester(Z)-Hexanoic acid;3-Hexen-1-ol, hexanoate, (Z)-;CIS-3-HEXEN-1-YL CAPROATE;Tox21_302626;LMFA07010594;s3317;AKOS024437799;CIS-HEX-3-EN-1-YL HEXANOATE;CS-W015649;HY-W014933;CIS-3-HEXENYL HEXANOATE [FHFI];cis-3-Hexenyl hexanoate, >=98%, FG;3-HEXEN-1-YL HEXANOATE, (Z)-;NCGC00256710-01;AS-57908;LS-75315;CAS-31501-11-8;A875890;J-640440;J-800456;Q27291338

Suppliers and Price of cis-3-Hexenyl hexanoate

Supply Marketing:Edit

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

TCI Chemical
cis-3-Hexen-1-yl Hexanoate >98.0%(GC)
25mL
$ 21.00

Sigma-Aldrich
cis-3-Hexenyl hexanoate FG
1 kg
$ 327.00

Sigma-Aldrich
cis-3-Hexenyl hexanoate ≥98%, FG
1kg-k
$ 327.00

Sigma-Aldrich
cis-3-Hexenyl hexanoate FG
1 SAMPLE-K
$ 50.00

Sigma-Aldrich
cis-3-Hexenyl hexanoate ≥98%, FG
sample-k
$ 50.00

Sigma-Aldrich
cis-3-Hexenyl hexanoate FG
100 g
$ 68.00

Sigma-Aldrich
cis-3-Hexenyl hexanoate ≥98%, FG
100g-k
$ 68.00

Chem-Impex
cis-3-Hexen-1-ylhexanoate,95-100%(GC),Natural,meetsFGspecifications,Kosher,FEMA3 95-100%(GC)
5G
$ 61.73

Chem-Impex
cis-3-Hexen-1-ylhexanoate,98-100%(GC),meetsFGspecifications,KOSHER,FEMA3403 98-100%(GC)
250G
$ 323.81

Chem-Impex
cis-3-Hexen-1-ylhexanoate,95-100%(GC),Natural,meetsFGspecifications,Kosher,FEMA3 95-100%(GC)
25G
$ 123.47

Total 72 raw suppliers

Chemical Property of cis-3-Hexenyl hexanoate Edit

Chemical Property:

Vapor Pressure:0.0156mmHg at 25°C
Melting Point:17.88°C (estimate)
Refractive Index:1.444
Boiling Point:256.2 °C at 760 mmHg
Flash Point:86.7 °C
PSA：26.30000
Density:0.886 g/cm³
LogP:3.46620
Storage Temp.:Inert atmosphere,Room Temperature
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:198.161979940
Heavy Atom Count:14
Complexity:162

Purity/Quality:

98.00% ^*data from raw suppliers

cis-3-Hexen-1-yl Hexanoate >98.0%(GC) ^*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:CCCCCC(=O)OCCC=CCC
Isomeric SMILES:CCCCCC(=O)OCC/C=C\CC
Description cis-3-Hexenyl hexanoate has a powerful, diffusive fruity-green odor.1 It is reminiscent of pear. May be synthesized by azeotropic esterification of ds-3-hexanol with n-hexanoic acid.

Technology Process of cis-3-Hexenyl hexanoate

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