4441-63-8

Basic information

• Product Name: 4-CYCLOHEXYLBUTYRIC ACID
• Synonyms: Cyclohexanebutyricacid,98+%;Cyclohexanebutyric acid,99%;4-Cyclohexylbutyric acid ,99%;Cyclohexanebutyric acid, 99% 5GR;Phenylbutyrate Related CoMpound C;Cyclohexanebutyric acid 99%;cyclohexanebutanoicacid;CYCLOHEXANEBUTYRIC ACID
• CAS NO: 4441-63-8
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25
• EINECS: 224-665-3
• Product Categories: Building Blocks;C10;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks
• Mol File: 4441-63-8.mol
• Article Data: 10

Chemical Properties

• Melting Point: 30-32 °C(lit.)
• Boiling Point: 259.9°C (rough estimate)
• Flash Point: >230 °F
• Appearance: /Solid
• Density: 0.9581 (rough estimate)
• Vapor Pressure: 0.000831mmHg at 25°C
• Refractive Index: 1.4524 (estimate)
• Storage Temp.: 2-8°C
• PKA: 4.84±0.10(Predicted)
• BRN: 2041731
• CAS DataBase Reference: 4-CYCLOHEXYLBUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CYCLOHEXYLBUTYRIC ACID(4441-63-8)
• EPA Substance Registry System: 4-CYCLOHEXYLBUTYRIC ACID(4441-63-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 4441-63-8(Hazardous Substances Data)

Usage

Chemical Properties

white semi-transparent crystalline solid

Uses

Cyclohexanebutyric acid was used in the growth of Arthrobacter sp. strain CA1. It was also used in the production of polyhydroxyalkanoates (PHAs).

Purification Methods

Distil the acid through a Vigreux column (p 11), and the crystalline distillate is recrystallised from pet ether. The S-benzylisothiuronium salt has m 154-155o (from EtOH) [Friediger & Pedersen Acta Chem Scand 9 1425 1955, English & Dayan J Am Chem Soc 72 4187 1950]. [Beilstein 9 II 15.]

InChI:InChI=1/C10H18O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9H,1-8H2,(H,11,12)/p-1

Upstream product

• 108-94-1 cyclohexanone 
• 4441-66-1 3-cyclohexylpropionitrile 
• 626-62-0 Cyclohexyl iodide 
• 64-18-6 formic acid 
• 2114-42-3 allylcyclohexane 
• 108-85-0 1-bromocyclohexane 
• 108-55-4 glutaric anhydride, 
• 124-38-9 carbon dioxide 
• 250721-90-5 diethyl 2-(2-cyclohexylethyl)malonate 
• 1647-26-3 1-bromo-2-cyclohexylethane 
• 4132-61-0 6-cyclohex-1-enyl-hexanoic acid 
• 5432-70-2 4-Cyclohexyl-butyric acid 2,2,2-trichloro-ethyl ester 
• 2035-75-8 adipic anhydride 
• 15972-01-7 4-cyclohexylbutyric acid methyl ester 

Downstream Products

• 855620-89-2 4-cyclohexyl-1-(2-hydroxy-3,4-dimethyl-phenyl)-butan-1-one 
• 94803-85-7 N-[5-(3-cyclohexyl-propyl)-[1,3,4]thiadiazol-2-yl]-benzenesulfonamide 
• 93902-41-1 N-[5-(3-cyclohexyl-propyl)-[1,3,4]thiadiazol-2-yl]-toluene-4-sulfonamide 
• 95364-59-3 N-[5-(3-cyclohexyl-propyl)-[1,3,4]thiadiazol-2-yl]-4-methoxy-benzenesulfonamide 
• 191471-37-1 4-Cyclohexyl-butyric acid furan-3-ylmethyl ester 
• 5292-21-7 Cyclohexylacetic acid 
• 934415-18-6 trimethylsilyl 4-(cyclohexyl)butyrate 
• 4441-67-2 4-cyclohexylbutyryl chloride 
• 143415-39-8 (S)-3-(4-cyclohexyl-1-oxobutyl)-4-(phenylmethyl)-2-oxazolidinone 
• 1401112-33-1 1-chloro-9-cyclohexyl-6-(trifluoromethyl)non-5-en-2-one 
• 1401112-34-2 1-chloro-9-cyclohexyl-6-(trifluoromethyl)non-5-en-2-one 
• 1401112-25-1 N-(4-bromophenyl)-8-cyclohexyl-N-(methylsulfonyl)-5-(trifluoromethyl)oct-4-enamide 
• 1401112-26-2 N-(4-bromophenyl)-8-cyclohexyl-N-(methylsulfonyl)-5-(trifluoromethyl)oct-4-enamide 
• 1401112-19-3 3-(6-cyclohexyl-3-(trifluoromethyl)hex-2-en-1-yl)-1-tosylpiperidin-4-one 

Relevant articles and documents

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Synthetic method of acid compound

The invention belongs to the field of organic synthesis, and particularly relates to a synthetic method of an acid compound. An acid anhydride compound and an alkyl bromide or a functionalized alkyl bromide are subjected to a cross-electrophilic coupling reaction to synthesize an acid compound, so that the application of the alkyl bromide in the cross-electrophilic coupling reaction is expanded, and a novel non-traditional method for chemically and selectively constructing a carbon-carbon bond through a decarburization process is provided. The synthesis method is simple, economic, green and environment-friendly, and has wider applicability or is suitable for large-scale production.

Reductive cleavage of 2,2,2-trichloroethyl esters with sodium telluride

Carboxylic acids are regenerated from their 2,2,2,-trichloroethyl esters by treatment with sodium telluride in dimethylformamide in smooth conditions and with good yields. The reaction conditions are compatible with other functional and protective groups such as methyl ester, acetate or tert- butyldimethylsilyl ethers.