| Identification | More | [Name]
1,3-Cyclohexanedicarboxylic acid | [CAS]
3971-31-1 | [Synonyms]
1,3-CYCLOHEXANEDICARBOXYLIC ACID
1,3-cyclohexanedicarboxylicacid,mixtureof
1,3-Cyclohexanedicarboxylic acid,mixture of cis and trans
1,3-CYCLOHEXANEDICARBOXYLIC ACID, 98%, M IXTURE OF CIS AND TRANS
CYCLOHEXANE-1,3-DICARBOXYLIC ACID
1,3-cyclohexanedicarboxylic
1,3-Cyclohexanedicarboxylic Acid (cis-and trans-mixture) | [EINECS(EC#)]
432-490-0 | [Molecular Formula]
C8H12O4 | [MDL Number]
MFCD00134411 | [Molecular Weight]
172.18 | [MOL File]
3971-31-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
132-141 °C(lit.)
| [Boiling point ]
332.4±25.0 °C(Predicted) | [density ]
1.314±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
4.32±0.13(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/C8H12O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) | [InChIKey]
XBZSBBLNHFMTEB-UHFFFAOYSA-N | [SMILES]
C1(C(O)=O)CCCC(C(O)=O)C1 | [CAS DataBase Reference]
3971-31-1(CAS DataBase Reference) | [EPA Substance Registry System]
3971-31-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
29172090 |
| Hazard Information | Back Directory | [Uses]
1,3-Cyclohexanedicarboxylic acid can be used in the synthesis of organic materials and liquid crystal materials.
| [Synthesis]
1. To a methanol (2.8 L) suspension containing isophthalic acid (500 g, 3 mol), 5% rhodium/alumina catalyst (50 g) and acetic acid (150 mL) were added sequentially. 2. The reaction mixture was subjected to a hydrogen atmosphere (50 psi) and shaken overnight at room temperature. 3. Upon completion of the reaction, the mixture was filtered through a diatomaceous earth pad to remove the catalyst. 4. Fresh 5% rhodium/alumina catalyst (25 g) was added to the filtrate. Fresh 5% rhodium/alumina catalyst (25 g) was added to the filtrate and the reaction was again shaken under hydrogen atmosphere (50 psi) for 24 h. 5. At the end of the reaction, the final reaction mixture was filtered through a pad of diatomaceous earth. 6. The filtrate was concentrated under reduced pressure to give 493 g of 1,3-cyclohexanedicarboxylic acid as white powder in 96.3% yield. 7. The product has a melting point of 163-165 °C. The melting point of the product was 163-165°C. | [References]
[1] Patent: US2003/100576, 2003, A1
[2] Patent: US2003/100576, 2003, A1
[3] Patent: US2004/10005, 2004, A1. Location in patent: Page 18
[4] Patent: JP2004/509897, 2004, A. Location in patent: Page 45
[5] Patent: US2004/10005, 2004, A1. Location in patent: Page 22 |
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