Geranyl valerate

Base Information

• Chemical Name: Geranyl valerate
• CAS No.: 10402-47-8
• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37
• European Community (EC) Number: 233-869-1
• UNII: 317HUA93QY
• DSSTox Substance ID: DTXSID30883126
• Nikkaji Number: J184.196C
• Metabolomics Workbench ID: 4262
• Mol file: 10402-47-8.mol

Synonyms:Geranyl valerate;10402-47-8;[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate;geranyl pentanoate;Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester;Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-;UNII-317HUA93QY;317HUA93QY;EINECS 233-869-1;Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester;AI3-24389;(E)-3,7-Dimethyl-2,6-octadienyl pentanoate;(2E)-3,7-Dimethyl-2,6-octadienyl pentanoate;WE(8:2(2E,6E)(3Me,7Me)/5:0);(E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL PENTANOATE;Valeric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-;(Z)-3,7-Dimethylocta-2,6-dienyl pentanoate;GERANIOL VALERATE;(E)-GERANYL VALERATE;SCHEMBL309723;SCHEMBL309724;GERANYL VALERATE [FHFI];FEMA NO. 4123;DTXSID30883126;CVSWGLSBJFKWMW-SDNWHVSQSA-N;LMFA07010617;Y13482;Q27256022;(E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YLPENTANOATE;(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL PENTANOATE

Chemical Property of Geranyl valerate

Chemical Property:

• Vapor Pressure: 0.0004mmHg at 25°C
• Boiling Point: 316.8°Cat760mmHg
• Flash Point: 100.6°C
• PSA: 26.30000
• Density: 0.894g/cm³
• LogP: 4.41250
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

98%,99%, ^*data from raw suppliers

GERANYL VALERATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OCC=C(C)CCC=C(C)C
• Isomeric SMILES: CCCCC(=O)OC/C=C(\C)/CCC=C(C)C

Technology Process of Geranyl valerate

There total 3 articles about Geranyl valerate 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: 97.9%

Geraniol (106-24-1) + valeric acid (109-52-4) → geranyl valerate (10402-47-8)

Guidance literature:

With Candida antarctica lipase B; at 50 ℃; for 4h; Molecular sieve; Ionic liquid; Green chemistry; Enzymatic reaction;

DOI:10.1039/c2gc36081k

Reference yield: 97.8%

Nerol (106-25-2) + valeric acid (109-52-4) → neryl valerate (10522-33-5,10402-47-8)

Guidance literature:

With Candida antarctica lipase B; at 50 ℃; for 4h; Molecular sieve; Ionic liquid; Green chemistry; Enzymatic reaction;

DOI:10.1039/c2gc36081k

Reference yield:

Geraniol (106-24-1) + n-valeryl chloride (638-29-9) → geranyl valerate (10402-47-8)

Guidance literature:

Geraniol; With bis(cyclopentadienyl)titanium dichloride; manganese; diiodomethane; In 1,4-dioxane; at 20 ℃; for 2.5h; Inert atmosphere;

n-valeryl chloride; In 1,4-dioxane; at 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1002/ejoc.201600496

upstream raw materials:

Geraniol

valeric acid

n-valeryl chloride

Nerol

Refernces

• 1、 Lozano, Pedro,Bernal, Juana M.,Navarro, Alicia. "A clean enzymatic process for producing flavour esters by direct esterification in switchable ionic liquid/solid phases". . p. 3026 - 3033. Retrieved 2013/01/15.
• 2、 Iwai, Mieko,Okumura, Susumu,Tsujisaka, Yoshio. "Synthesis of Terpene Alcohol Esters by Lipase". . p. 2731 - 2732. Retrieved 2007/10/02.