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CAS No.: | 619-82-9 |
---|---|
Name: | trans-1,4-Cyclohexanedicarboxybic acid |
Article Data: | 58 |
Molecular Structure: | |
Formula: | C8H12 O4 |
Molecular Weight: | 172.181 |
Synonyms: | trans-1,4-Cyclohexane-1,4-dicarboxylicacid; trans-1,4-Cyclohexanedicarboxylic acid; trans-1,4-Cyclohexyldicarboxylicacid; trans-4-Carboxycyclohexanecarboxylic acid; trans-Hexahydroterephthalicacid |
EINECS: | 210-614-2 |
Density: | 1.314 g/cm3 |
Melting Point: | >300 °C(lit.) |
Boiling Point: | 384.1 °C at 760 mmHg |
Flash Point: | 200.3 °C |
Solubility: | Soluble in hot methanol (almost transparency), ethanol, acetone. Slightly soluble in ether and water |
Appearance: | White crystal |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 74.60000 |
LogP: | 0.96200 |
1,4-cyclohexanedicarboxylic acid
Conditions | Yield |
---|---|
With trifluoroacetic acid In tetrahydrofuran at 50℃; for 4h; | 99% |
1,4-cyclohexanedicarboxylic acid
Conditions | Yield |
---|---|
With trifluoroacetic acid In tetrahydrofuran at 50℃; for 3.5h; | 99% |
Conditions | Yield |
---|---|
With 5%-palladium/activated carbon; hydrogen In water at 150℃; under 30003 Torr; for 5.5h; | 92% |
1,4-benzenedicarboxylic acid dimethyl ester
A
1,4-cyclohexanedicarboxylic acid
B
cis-cyclohexane-1,4-dicarboxylic acid
Conditions | Yield |
---|---|
With hydrogenchloride; methanol Hydrogenation.weiteres Reagens: Platin; Behandlung des Reaktionsprodukts mit warmer wss. Natronlauge oder warmer wss. Salzsaeure; | |
With hydrogenchloride; acetic acid Hydrogenation.weiteres Reagens: Platin; Behandlung des Reaktionsprodukts mit warmer wss. Natronlauge oder warmer wss. Salzsaeure; |
terephthalic acid
A
1,4-cyclohexanedicarboxylic acid
B
cis-cyclohexane-1,4-dicarboxylic acid
Conditions | Yield |
---|---|
With palladium on activated charcoal; water at 180 - 200℃; under 128714 - 257428 Torr; Hydrogenation; | |
With hydrogen; acetic acid; platinum | |
With water; pyrographite; ruthenium at 140℃; under 257428 Torr; Hydrogenation; | |
With 5%-palladium/activated carbon; hydrogen In water at 150℃; under 37503.8 Torr; Reagent/catalyst; Pressure; Time; Autoclave; Overall yield = 99.5 %; | A n/a B n/a |
With water; hydrogen at 80℃; under 37503.8 Torr; for 2h; Reagent/catalyst; Autoclave; | A n/a B n/a |
Conditions | Yield |
---|---|
With hydrogenchloride at 180℃; |
A
1,4-cyclohexanedicarboxylic acid
B
trans-4-(methoxycarbonyl)cyclohexanecarboxylic acid
Conditions | Yield |
---|---|
With methanol; potassium hydroxide |
Conditions | Yield |
---|---|
With hydrogen iodide |
Conditions | Yield |
---|---|
at 200 - 220℃; |
trans-Cyclohex-2-ene-1,4-dicarboxylic acid
1,4-cyclohexanedicarboxylic acid
Conditions | Yield |
---|---|
With acetic acid; platinum Hydrogenation; |
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Molecular Structure of trans-1,4-Cyclohexanedicarboxybic acid (CAS NO.619-82-9):
IUPAC Name: Cyclohexane-1,4-dicarboxylic acid
Molecular Formula: C8H12O4
Molecular Weight: 172.18
EINECS: 210-614-2
Melting Point: 312.5 °C
log P (octanol-water): 0.950
Index of Refraction: 1.521
Molar Refractivity: 39.885 cm3
Molar Volume: 130.952 cm3
Surface Tension: 57.832 dyne/cm
Density: 1.315 g/cm3
Flash Point: 200.254 °C
Enthalpy of Vaporization: 69.461 kJ/mol
Boiling Point: 384.075 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
Water Solubility: 800 mg/L at 17 °C
Atmospheric OH Rate Constant: 1.11E-11 cm3/molecule-sec at 25 °C
Appearance: white to light yellow crystal powder
Canonical SMILES: C1CC(CCC1C(=O)O)C(=O)O
InChI: InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey: PXGZQGDTEZPERC-UHFFFAOYSA-N
Product Categories: chiral;4-Substituted Cyclohexanecarboxylic Acids; C8; Carbonyl Compounds; Carboxylic Acids
Safety Information of trans-1,4-Cyclohexanedicarboxybic acid (CAS NO.619-82-9):
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
trans-1,4-Cyclohexanedicarboxybic acid (CAS NO.619-82-9), its Synonyms are trans-Hexahydroterephthalic acid ; 1,4-Cyclohexanedicarboxylic acid, trans- ; trans-Hexahydro-p-phthalic acid ; trans-Cyclohexane-1,4-dicarboxylic acid .