Cyclohexanecarboxylic acid supplier

Name
Cyclohexanecarboxylic acid
EINECS 202-711-3
CAS No. 98-89-5
Article Data460
CAS DataBase
Density 1.079 g/cm³
Solubility water: 0.201 g/100 mL (15 °C)
Melting Point 29-31 °C
Formula C₇H₁₂O₂
Boiling Point 233 °C at 760 mmHg
Molecular Weight 128.171
Flash Point 107 °C
Transport Information
Appearance white crystalline solid
Safety 26-36-37/39
Risk Codes 37/38-41-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms FEMA No. 3531;4-09-00-00016 (Beilstein Handbook Reference);7549-42-0;Cyclohexylmethanoic acid;Cyclohexanoic acid;50825-29-1;Cyclohexylformic acid;EPA Pesticide Chemical Code 112603;Cyclohexanecarboxylic acid, calcium salt;Hexahydrobenzoic acid;Cyclohexane Carboxylic Acid;cyclohexanecarboxylic acid;hexahydrobenzoic acid;Cyclohexanecarboxylicacid;Sodium Hexametaphosphate;hexahydro-;136-01-6;Benzoic acid, hexahydro-;Cyclohexane-1-carboxylate;Hexahyl carbonic acid;Cyclohexanecarboxylic acid, sodium salt;25666-60-8;
PSA 37.30000
LogP 1.65130

Synthetic route

: 65-85-0
benzoic acid

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With potassium Sodium; polyethylene oxide In tetrahydrofuran at 0℃; 12 ethylene oxide units/M(+);	100%
With hydrogen In water at 100℃; under 15001.5 Torr; for 2h;	100%
With C33H49ClNRh; hydrogen In 2,2,2-trifluoroethanol at 20℃; under 51005.1 Torr; for 24h; Autoclave; Molecular sieve;	99%

: 100-49-2
cyclohexylmethyl alcohol

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With peracetic acid; C24H29INO5 In acetic acid at 30℃; for 24h;	100%
With 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate In water; acetonitrile at 20℃;	96%
With sodium bromate; 4 In water at 60℃; for 15h;	95%

: 67-56-1
methanol

: 111077-44-2
1-pyrenylmethyl ester of cyclohexane-carboxylic acid

A: 91385-15-8
methyl 1-pyrenylmethyl ether

B: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
for 0.5h; Product distribution; Irradiation;	A 90% B 100%

...Expand

: 456-22-4
4-Fluorobenzoic acid

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With water In aq. phosphate buffer at 25℃; for 4.5h; pH=2.7 - 3.2; Electrochemical reaction;	100%
With hydrogen In water at 20℃; under 750.075 Torr; for 4h;

: 602-94-8
Pentafluorobenzoic acid

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With water In aq. phosphate buffer at 25℃; for 15h; pH=2.7 - 3.2; Electrochemical reaction;	100%

: 2043-61-0
cyclohexanecarbaldehyde

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; 7-(trifluoromethyl)-1,10-ethyleneisoalloxazinium chloride In water; acetonitrile at 85℃; for 18h;	99%
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry;	99%
With 4H3N4H(1+)CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h;	99%

: 4771-80-6
1,2,5,6-tetrahydrobenzoic acid

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With hydrogen; 3% Pd/C In benzene at 100℃; under 6205.94 Torr;	99%
With hydrogen; 3% Pd/C In hexane at 100℃; under 6205.94 Torr;	99%
With hydrogen; Rhodium chloride tri(triphenylphosphine-meta-trisulfonate) In water for 18h; Ambient temperature;	95%

: 201230-82-2
carbon monoxide

: 110-83-8
cyclohexene

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With sulfuric acid; α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; water; palladium(II) acetylacetonate; acetic acid at 20 - 100℃; under 30003 Torr; for 20h; Inert atmosphere; Autoclave;	99%
With water; bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine In 1,4-dioxane at 95℃; under 15200 Torr; for 6h; Product distribution; Rate constant; other catalyst;	98%
With water; bis-triphenylphosphine-palladium(II) chloride; triphenylphosphine In 1,4-dioxane at 95℃; under 15200 Torr; for 6h;	98%

: 124-38-9
carbon dioxide

: 931-50-0
cyclohexylmagnesium bromide

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
In tetrahydrofuran at 25℃; for 1.25h; Grignard Reaction; Inert atmosphere; Schlenk technique;	99%
In tetrahydrofuran at 0℃; for 3h; Inert atmosphere;	99%

: 609-69-8
β-hydroxycyclohexane monocarboxylic acid

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With perchloric acid; palladium 10% on activated carbon In ethanol at 40 - 45℃; for 5h; Inert atmosphere; Large scale;	98.3%

: 88773-81-3
cyclohexanemethyl tert-butyldimethylsilyl ether

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With potassium fluoride; jones reagent In acetone at 0℃; for 1h;	98%

: 16491-63-7
cyclohexanecarboxylic acid allyl ester

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
[(cyclopentadienyl)bis(acetonitrile)(triphenylphosphine)ruthenium(II)] hexafluorophosphate In methanol at 25℃; for 17h;	97%
With formic acid; triethylamine In acetonitrile at 80℃; for 3h; Inert atmosphere;	90%
With tetraethylammonium tosylate; tetrakis(triphenylphosphine) palladium(0) In acetonitrile Electrochemical reaction, Pb cathode, Pt anode;	83%
[RuCp(η3-C3H5)(QA)]PF6, QA=quinaldic acid In methanol at 30℃; for 9h;	99 % Spectr.

: 100-21-0
terephthalic acid

A Reaxys ID: 11371951: Reaxys ID: 11371951

B: 4331-54-8
4-methylcyclohexanecarboxylic acid

C: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With hydrogen; 5%-palladium/activated carbon In water at 150℃; under 7500.75 - 37503.8 Torr; for 2h; Purification / work up; autoclave;	A 96.2% B 3.1% C 0.22%

...Expand

: 81355-10-4
cyclohexane carboxylic-methoxyethoxymethyl ester

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With carbon tetrabromide In isopropyl alcohol for 1.5h; Heating;	96%

: 439099-03-3
3-methylbut-2-enyl cyclohexanecarboxylate

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate In dichloromethane at 20℃;	96%

: triisopropylsiloxymethyl cyclohexanecarboxylate

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; water at 20℃; Inert atmosphere;	96%

: 636-82-8
cyclohexene-1-carboxylic acid

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With phenylsilane; C12H23N2O2P In tetrahydrofuran at 23℃; for 6h;	94%
With diethyl ether; acetic acid; platinum Hydrogenation;
With pentaerythritol tetranitrate reductase H184F mutant; NADPH In ethanol at 25℃; for 0.0333333h; pH=7; Kinetics; aq. phosphate buffer; Inert atmosphere; Enzymatic reaction;

: 827-52-1
1-phenyl-1-cyclohexane

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With sodium periodate; ruthenium trichloride In tetrachloromethane; water; acetonitrile for 24h; Ambient temperature;	94%

: 54829-37-7
S-tert-butyl cyclohexanecarbothioate

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With tetrabutylammomium bromide In water; acetonitrile for 2h; Ambient temperature; electrolysis (undivided cell with platinum electrodes, 0.1 A constant current), other electrolytes, 1- and 2-propanol;	94%
With tetrabutylammomium bromide In water; acetonitrile for 2h; Product distribution; Mechanism; Ambient temperature; electrolysis (undivided cell with platinum electrodes at a constant current of 0.1 A), other elctrolytes, other solvents; reaction of other thioates (electrooxidative C-S-cleavage);	94%

: 54829-37-7
S-tert-butyl cyclohexanecarbothioate

A: 29099-08-9
2-methylpropane-2-sulfinic acid

B: 16794-13-1
t-butylsulfonic acid

C: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With tetrabutylammomium bromide; water In acetonitrile electrolysis; further conditions: LiBr, electrolysis;	A n/a B n/a C 94%

...Expand

: 105398-69-4
Cyclohexanecarboxylic acid 2-thioxo-2H-pyridin-1-yl ester

A: 119520-56-8
2-(cyclohexylsulfanyl)pyridine

B: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With copper diacetate In pyridine at 0℃; Irradiation; Yields of byproduct given;	A 94% B n/a
With ferric nitrate In pyridine at 0℃; Product distribution; Irradiation; other metal ion; var. light sources; influence of water;	A 50 % Chromat. B 36 % Chromat.

: N-methyl-N-tosylcyclohexanecarboxamide

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide In water at 85℃; for 12h;	94%

: 931-51-1
cyclohexylmagnesiumchloride

: 6482-39-9
sodium methyl carbonate

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
In 2-methyltetrahydrofuran at 20℃; for 24h; Inert atmosphere;	94%

: tert-butyldimethylsilyl cyclohexylmethanoate

: 67-56-1
methanol

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
Stage #1: tert-butyldimethylsilyl cyclohexylmethanoate; methanol; carbon tetrabromide at 20℃; for 0.5h; Irradiation; Stage #2: at 20℃; for 2.5h;	93%

: 67-56-1
methanol

: 2043-61-0
cyclohexanecarbaldehyde

A: 4630-82-4
methyl cyclohexylcarboxylate

B: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; methyltrioxorhenium(VII); acetic acid; sodium bromide for 10h; Ambient temperature;	A 92% B n/a

...Expand

: 2043-61-0
cyclohexanecarbaldehyde

A: 4630-82-4
methyl cyclohexylcarboxylate

B: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; methyltrioxorhenium(VII); acetic acid; sodium bromide In methanol for 10h; Ambient temperature;	A 92% B n/a

: 4630-82-4
methyl cyclohexylcarboxylate

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With pyrographite; sodium hydroxide In water at 20℃; for 24h; Reagent/catalyst; Temperature;	91%

: 766-05-2
cyclohexane carbonitrile

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With water; nitrile hydratase SP361 at 30℃; for 27h; in potassium phosphate buffer (pH = 7);	90%
With water In dimethyl sulfoxide at 26℃; for 24h; pH=7; aq. phosphate buffer;	67 %Chromat.
With pro-nitro010; water Reagent/catalyst; Enzymatic reaction;
With water In aq. phosphate buffer at 37℃; pH=7; Green chemistry; Enzymatic reaction;

: 92097-22-8
Cyclohexanecarboxylic acid (E)-4-trimethylsilanyl-but-2-enyl ester

: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With methanol; tetrakis(triphenylphosphine) palladium(0) In dichloromethane for 2h; Ambient temperature; other esters;	90%

: 1122-56-1
cyclohexylcarboxamide

A: 652-11-9
3,4,5,6-tetrafluorophthalimide

B: 98-89-5
Cyclohexanecarboxylic acid

Conditions

Conditions	Yield
With 4,5,6,7-tetrafluoroisobenzofuran-1,3-dione at 140℃; for 144h;	A n/a B 90%

: 108-93-0
cyclohexanol

: 98-89-5
Cyclohexanecarboxylic acid

: 15840-96-7
cyclohexyl cyclohexanecarboxylate

Conditions

Conditions	Yield
zirconium(IV) oxide at 210℃; for 2h; in autoclave; 5 h, reflux in liquid-phase;	100%
With dmap; iodine; di-2-thienyl carbonate In acetonitrile at 20℃; for 0.5h;	89%
With dmap; 2-methyl-6-nitrobenzoic anhydride; triethylamine In dichloromethane at 20℃; for 20h;	87%

: 98-89-5
Cyclohexanecarboxylic acid

: 22651-87-2
cyclohexanecarboxylic acid anhydride

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 23℃; for 24h;	100%
With 2,6-dimethylpyridine; tris(2,2'-bipyridyl)ruthenium dichloride; carbon tetrabromide; N,N-dimethyl-formamide at 25 - 30℃; for 12h; Inert atmosphere; Photolysis;	98%
With magnesium basic carbonate; di-tert-butyl dicarbonate at 25℃; for 6h;	98%

: 108-98-5
thiophenol

: 98-89-5
Cyclohexanecarboxylic acid

: 58587-03-4
S-phenyl cyclohexanecarbothioate

Conditions

Conditions	Yield
With pyridine; O-phenyl phosphorodichloridate In 1,2-dimethoxyethane for 16h; Ambient temperature;	100%
With tetrakis(2-methylimidazol-1-yl)silane In dichloromethane at 20℃; for 6h;	98%
With dmap; methanesulfonic acid; triethylamine 1.) THF, 1 h, 2.) 0 deg C;	83%

: 100-48-1
pyridine-4-carbonitrile

: 98-89-5
Cyclohexanecarboxylic acid

: 83001-42-7
2,6-dicyclohexylisonicotinonitrile

Conditions

Conditions	Yield
With ammonium persulfate; sulfuric acid; silver nitrate In water at 50℃; for 2h;	100%
With bis-[(trifluoroacetoxy)iodo]benzene In acetonitrile at 20℃; for 12h; Inert atmosphere; Irradiation; Schlenk technique;	74%

: 91-19-0
2,3-diethynylquinoxaline

: 98-89-5
Cyclohexanecarboxylic acid

: 18503-48-5
2-(tert-butyl)-quinoxaline

Conditions

Conditions	Yield
With ammonium persulfate; trifluoroacetic acid; silver nitrate In water; chlorobenzene for 2h; Heating;	100%

: 2344-70-9
1-phenyl-3-butanol

: 98-89-5
Cyclohexanecarboxylic acid

: 1-methyl-3-phenylpropyl cyclohexanecarboxylate

Conditions

Conditions	Yield
With dmap; 2-methyl-6-nitrobenzoic anhydride; triethylamine In dichloromethane at 20℃; for 20h;	100%
With chloro-trimethyl-silane; 4-(trifluoromethyl)benzoic anhydride; titanium tetrachloride; silver nitrate In dichloromethane for 3h; Ambient temperature;	95%
With chloro-trimethyl-silane; silver perchlorate; titanium tetrachloride; 4-(trifluoromethyl)benzoic anhydride In dichloromethane; toluene at 20℃; for 3h;	95%

: 150542-00-0
2-Debenzoyl-7,13-bis(triethylsilyl)baccatin III

: 98-89-5
Cyclohexanecarboxylic acid

: 152448-67-4
C43H72O11Si2

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide Ambient temperature;	100%

: 1191-99-7
2,3-dihydro-2H-furan

: 98-89-5
Cyclohexanecarboxylic acid

: 2-tetrahydrofuranyl cyclohexanecarboxylate

Conditions

Conditions	Yield
With methanesulfonic acid In dichloromethane at -25℃; for 2h; Esterification;	100%

: 110-87-2
3,4-dihydro-2H-pyran

: 98-89-5
Cyclohexanecarboxylic acid

: 2-tetrahydropyranyl cyclohexanecarboxylate

Conditions

Conditions	Yield
With methanesulfonic acid In dichloromethane at -25℃; for 4h; Esterification;	100%

: 67-68-5
dimethyl sulfoxide

: 98-89-5
Cyclohexanecarboxylic acid

: 16437-72-2
(methylthio)methyl cyclohexanecarboxylate

Conditions

Conditions	Yield
With t-butyl bromide; sodium hydrogencarbonate at 35 - 45℃; for 13h; Esterification;	100%
With oxalyl dichloride; triethylamine In dichloromethane at -60 - 20℃; for 0.5h; Swern oxidation;	97%
With triethylamine at 160℃; for 20h; Schlenk technique; Inert atmosphere;	70%
With triethylamine at 160℃; under 760.051 Torr; for 20h; Pummerer Sulfoxide Rearrangement; Schlenk technique; Inert atmosphere; Green chemistry;	70%

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

: 98-89-5
Cyclohexanecarboxylic acid

: 80783-98-8
N-methoxy-N-methylcyclohexanecarboxamide

Conditions

Conditions	Yield
Stage #1: Cyclohexanecarboxylic acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 1h; Stage #2: N,O-dimethylhydroxylamine*hydrochloride In dichloromethane at 20℃; for 16h;	100%
Stage #1: Cyclohexanecarboxylic acid With triethylamine; trichloromethyl chloroformate In dichloromethane at 0℃; Stage #2: N,O-dimethylhydroxylamine*hydrochloride In dichloromethane at 25℃; for 1h;	96%
Stage #1: N,O-dimethylhydroxylamine*hydrochloride; Cyclohexanecarboxylic acid In dichloromethane at 18℃; for 0.25h; Stage #2: With tributylphosphine; (2-pyridine-N-oxide)disulfide In dichloromethane	94%

: 2344-70-9
1-phenyl-3-butanol

: 434935-69-0
2-methyl-6-nitrobenzoic anhydride

: 98-89-5
Cyclohexanecarboxylic acid

A: 1-methyl-3-phenylpropyl cyclohexanecarboxylate

B: 2-methyl-6-nitro-benzoic acid 1-methyl-3-phenyl-propyl ester

Conditions

Conditions	Yield
With dmap; ethyl azide In dichloromethane at 20℃;	A 100% B n/a

...Expand

: 461406-44-0
[3-(tert-butyl-dimethyl-silanyloxy)-cyclopent-1-enyl]-methanol

: 98-89-5
Cyclohexanecarboxylic acid

: 461406-29-1
cyclohexanecarboxylic acid 3-(tert-butyl-dimethyl-silanyloxy)-cyclopent-1-enylmethyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 23℃; for 1.5h;	100%

: 98-89-5
Cyclohexanecarboxylic acid

: 16090-10-1
cyclohexanecarboxylic acid Li-salt

Conditions

Conditions	Yield
With lithium methanolate In methanol at 5 - 20℃; for 4.5h;	100%
With n-butyllithium

: 711-79-5
1-hydroxy-2-acetonaphthone

: 98-89-5
Cyclohexanecarboxylic acid

: 2-acetylnaphthalen-1-yl cyclohexanecarboxylate

Conditions

Conditions	Yield
Stage #1: Cyclohexanecarboxylic acid With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 40℃; for 0.666667h; Stage #2: 1-hydroxy-2-acetonaphthone With pyridine In dichloromethane at 60℃; for 1h;	100%
With pyridine

: 5381-92-0
1,3-diphenylpropan-2-ol

: 98-89-5
Cyclohexanecarboxylic acid

: 1,3-diphenylpropan-2-yl cyclohexanecarboxylate

Conditions

Conditions	Yield
With 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3,5-dimethylpyridin-1-ium chloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 24h; Reagent/catalyst;	100%

: 98-89-5
Cyclohexanecarboxylic acid

: 2719-27-9
cyclohexanylcarbonyl chloride

Conditions

Conditions	Yield
With thionyl chloride In dodecane; benzene at 20℃; for 1h; Heating / reflux;	99%
With thionyl chloride In dodecane; hexane; benzene at 20℃; for 1h; Heating / reflux;	99%
With phosphorus trichloride In dodecane; benzene at 20℃; for 1h; Heating / reflux;	99%

: 67-56-1
methanol

: 98-89-5
Cyclohexanecarboxylic acid

: 4630-82-4
methyl cyclohexylcarboxylate

Conditions

Conditions	Yield
With sulfuric acid for 2.5h; Reflux;	99%
With aluminum oxide; methanesulfonic acid at 80℃; for 0.116667h;	98%
With sulfuric acid In dichloromethane for 15h; Heating;	94%

: 98-89-5
Cyclohexanecarboxylic acid

: 100-49-2
cyclohexylmethyl alcohol

Conditions

Conditions	Yield
With samarium diiodide; hexanal; samarium(III) trifluoromethanesulfonate In tetrahydrofuran; methanol; potassium hydroxide at 20℃; for 0.075h; Reduction;	99%
With sodium tetrahydroborate; titanium tetrachloride In 1,2-dimethoxyethane for 14h; Ambient temperature;	94%
With hydrogen; Rh/Al2O3; molybdenum hexacarbonyl In 1,2-dimethoxyethane at 150℃; under 76000 Torr; for 16h;	93%

: 100-46-9
benzylamine

: 98-89-5
Cyclohexanecarboxylic acid

: 35665-26-0
N-benzylcyclohexanecarboxamide

Conditions

Conditions	Yield
With Bromotrichloromethane; 4-(diphenylphosphino)-benzyltrimethylammonium bromide; triethylamine In tetrahydrofuran; dichloromethane at 60℃; for 6h; Inert atmosphere;	99%
With borane-ammonia complex In 5,5-dimethyl-1,3-cyclohexadiene for 6h; Reflux;	99%
With 3,4,5-trifluorophenylboronic acid In xylene for 18h; Heating;	96%

: 100-51-6
benzyl alcohol

: 98-89-5
Cyclohexanecarboxylic acid

: 22733-94-4
benzyl cyclohexanecarboxylate

Conditions

Conditions	Yield
With N-polystyrenylbutylpyridinium triflylimide; zirconium(IV) tetraisopropoxide; Iron(III) isopropoxide In n-heptane for 24h; Heating;	99%
tetrachlorobis(tetrahydrofuran)hafnium(IV) In toluene for 7h; Heating;	96%
With molecualar sevies 4A; tetrachlorobis(tetrahydrofuran)hafnium(IV) In toluene at 120℃; for 7h;	96%

: 2033-24-1
cycl-isopropylidene malonate

: 98-89-5
Cyclohexanecarboxylic acid

: 132415-06-6
5-(((1-cyclohexyl)hydroxy)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
With diethyl cyanophosphonate; triethylamine In N,N-dimethyl-formamide at 0 - 20℃; Acylation;	99%

Cyclohexanecarboxylic acid Chemical Properties

IUPAC Name: Cyclohexanecarboxylic acid
Molecular Formula: C₇H₁₂O₂
Molecular Weight: 128.168980 g/mol
Appearance: colourless liquid
Melting Point: 29-31 °C
Boiling Point: 232-233 °C
Flash Point: >230 °F
Solubility: Benzene, alcohol and ether
Insolubility: Water
Density: 1.033 g/mL at 25 °C
FEMA:3531
refractive index: N20/D 1.461
Water Solubility: 0.201 g/100 mL (15 °C)
Merck:14,2724
BRN:970529
Synonyms of Hexahydrobenzoic acid (CAS NO.98-89-5): 4-09-00-00016 (Beilstein Handbook Reference) ; AI3-01854
BRN 0970529 ; Benzoic acid, hexahydro- ; Carboxycyclohexane ; Cyclohexancarbonsaeure ; Cyclohexanecarboxylic acid ; Cyclohexanoic acid ; Cyclohexylcarboxylic acid ; Cyclohexylformic acid ; Cyclohexylmethanoic acid ; EINECS 202-711-3 ; EPA Pesticide Chemical Code 112603 ; FEMA No. 3531
Categories of Hexahydrobenzoic acid (CAS NO.98-89-5): Pharmaceutical Intermediates;API intermediates

Cyclohexanecarboxylic acid Uses

Hexahydrobenzoic acid (CAS NO.98-89-5) is a raw material for synthesis of Clofentezine.
Hexahydrobenzoic acid (CAS NO.98-89-5) can also be used for synthesis of new varieties of other acaricides Flufenzine (flutenzine)
Hexahydrobenzoic acid (CAS NO.98-89-5) can also be used as pharmaceuticals, dyes intermediates.

Cyclohexanecarboxylic acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	3265mg/kg (3265mg/kg)		Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Cyclohexanecarboxylic acid Consensus Reports

Reported in EPA TSCA Inventory.

Cyclohexanecarboxylic acid Safety Profile

Safety Information  Hexahydrobenzoic acid (CAS NO.98-89-5):
Hazard Codes:Xi
Risk Statements:37/38-41-36/37/38
37/38:Irritating to respiratory system and skin
41:Risk of serious damage to eyes
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
37/39:Wear suitable gloves and eye/face protection
WGK Germany:2
RTECS:GU8370000
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

Cyclohexanecarboxylic acid Specification

First Aid Measures of Hexahydrobenzoic acid (CAS NO.98-89-5):
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water.
Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Storage of Hexahydrobenzoic acid (CAS NO.98-89-5):
Store in a cool, dry place. Store in a tightly closed container.

Product Name

Cyclohexanecarboxylic acid

Synthetic route

Cyclohexanecarboxylic acid Chemical Properties

Cyclohexanecarboxylic acid Uses

Cyclohexanecarboxylic acid Toxicity Data With Reference

Cyclohexanecarboxylic acid Consensus Reports

Cyclohexanecarboxylic acid Safety Profile

Cyclohexanecarboxylic acid Specification

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