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| CAS No.: | 98-89-5 |
|---|---|
| Name: | Cyclohexanecarboxylic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C7H12O2 |
| Molecular Weight: | 128.171 |
| 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; |
| EINECS: | 202-711-3 |
| Density: | 1.079 g/cm3 |
| Melting Point: | 29-31 °C |
| Boiling Point: | 233 °C at 760 mmHg |
| Flash Point: | 107 °C |
| Solubility: | water: 0.201 g/100 mL (15 °C) |
| Appearance: | white crystalline solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 37/38-41-36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 37.30000 |
| LogP: | 1.65130 |
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| 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% |
| 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 | Yield |
|---|---|
| for 0.5h; Product distribution; Irradiation; | A 90% B 100% |
| 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; |
| Conditions | Yield |
|---|---|
| With water In aq. phosphate buffer at 25℃; for 15h; pH=2.7 - 3.2; Electrochemical reaction; | 100% |
| 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 4H3N*4H(1+)*CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h; | 99% |
| 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% |
| 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% |
| 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% |
| Conditions | Yield |
|---|---|
| With perchloric acid; palladium 10% on activated carbon In ethanol at 40 - 45℃; for 5h; Inert atmosphere; Large scale; | 98.3% |
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Chemistry
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
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.
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
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.
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.