Cyclohexanepentanoic acid

Base Information

• Chemical Name: Cyclohexanepentanoic acid
• CAS No.: 5962-88-9
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.279
• Hs Code.: 2916209090
• European Community (EC) Number: 628-291-5
• NSC Number: 2038
• DSSTox Substance ID: DTXSID50208296
• Nikkaji Number: J842.113G
• Wikidata: Q83082398
• Mol file: 5962-88-9.mol

Synonyms:Cyclohexanepentanoic acid;5962-88-9;5-cyclohexylpentanoic acid;5-Cyclohexylvaleric acid;Cyclohexanevaleric acid;Cyclohexane-valeric acid;AI3-14245;cyclohexane pentanoic acid;NCIOpen2_009318;SCHEMBL439641;Cyclohexanepentanoic acid, 98%;DTXSID50208296;NSC2038;NSC 2038;NSC-2038;STR05933;MFCD00074942;AKOS015894358;CS-0260988;FT-0635922;EN300-765218;A832392

Chemical Property of Cyclohexanepentanoic acid

Chemical Property:

• Vapor Pressure: 7.39E-05mmHg at 25°C
• Melting Point: 16-17 °C(lit.)
• Refractive Index: n20/D 1.4656(lit.)
• Boiling Point: 126-127 °C0.5 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 37.30000
• Density: 0.96 g/mL at 25 °C(lit.)
• LogP: 3.21170
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

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

Cyclohexanepentanoic acid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CCCCC(=O)O
• Uses: Cyclohexanepentanoic acid (5-Cyclohexylvaleric acid) was used as a growth medium for Pseudomonas oleovorans for production of polymers containing cyclohexyl units.

Technology Process of Cyclohexanepentanoic acid

There total 16 articles about Cyclohexanepentanoic acid 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: 15.0%

1-diazo-5-cyclohexylpentan-2-one (110604-56-3) → 5-cyclohexylvaleric acid (5962-88-9) + 3-cyclohexyl-1-cyclopentanone (10264-57-0) + 4-[4-Cyclohexyl-but-(Z)-ylidene]-3-(3-cyclohexyl-propyl)-oxetan-2-one

Guidance literature:

With tetrakis(trifluoroacetato)rhodium(II); In dichloromethane; for 5h;

DOI:10.1016/S0040-4020(97)00507-3

Reference yield: 14.0%

pent-4-enoic acid (591-80-0) + cyclohexane (110-82-7,25012-93-5) → 5-cyclohexylvaleric acid (5962-88-9)

Guidance literature:

With di-tert-butyl peroxide; at 140 ℃; for 10h;

DOI:10.1016/S0040-4020(01)91505-4

Reference yield:

5-Phenylpentanoic acid (2270-20-4) → 5-cyclohexylvaleric acid (5962-88-9)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

DOI:10.1021/ja01218a037

upstream raw materials:

6-cyclohex-1-enyl-tetrahydro-pyran-2-one

5-Phenylpentanoic acid

1-bromo-4-cyclohexylbutane

(3-cyclohexyl-propyl)-malonic acid

Downstream raw materials:

5-Cyclohexyl-1-pentanol

5-cyclohexylpentanoyl chloride

Refernces

• 1、 -. "DESIGN AND SYNTHESIS OF OPTIMIZED LIGANDS FOR PPAR". Page/Page column 67. . Retrieved 2010/02/10.
• 2、 Maillard, B.,Kharrat, A.,Gardrat, C.. "DEPLACEMENTS HOMOLYTIQUES INTRAMOLECULAIRES-I; ETUDE DE LA DECOMPOSITION DU PERPENTENE-4 OATE DE t-BUTYLE DANS LES CYCLANES. SYNTHESE DE CYCLOALKYL-5 PENTANOLIDES-4". . p. 3531 - 3538. Retrieved 2007/10/02.