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| | 1,4-Cyclohexanedicarboxylic acid Basic information |
| Product Name: | 1,4-Cyclohexanedicarboxylic acid | | Synonyms: | 1,4-Cyclohexanedicarboxylic acid, Mixture of cis and trans, 99+% 100GR;1,4-trans-cyclohexyldicarboxylic acid;cis+trans),1,4-Cyclohexanedicarboxylicacid(cis-andtra;Two1,4-cyclohexanecarboxylic acid;1, 4 - ring of adipic acid;1,4-Cyclohexanedicarboxylic acid (cis- and trans- mixture);1,4-Cyclohexanedicarboxylic acid 99%;1,4-CYCLOHEXANEDICARBOXYLIC ACID (CIS+TRANS) | | CAS: | 1076-97-7 | | MF: | C8H12O4 | | MW: | 172.18 | | EINECS: | 214-068-6 | | Product Categories: | Building Blocks;C8;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Pharmaceutical intermediates;4-Substituted Cyclohexanecarboxylic Acids;Organic acids | | Mol File: | 1076-97-7.mol |  |
| | 1,4-Cyclohexanedicarboxylic acid Chemical Properties |
| Melting point | 164-167 °C(lit.) | | Boiling point | 262.49°C (rough estimate) | | density | 1.2104 (rough estimate) | | refractive index | 1.4450 (estimate) | | Fp | 235°C | | storage temp. | Sealed in dry,Room Temperature | | form | Powder | | pka | 4.38±0.10(Predicted) | | color | White to off-white | | Water Solubility | SOLUBLE | | BRN | 1870377 | | 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 | | SMILES | C1(C(O)=O)CCC(C(O)=O)CC1 | | CAS DataBase Reference | 1076-97-7(CAS DataBase Reference) | | NIST Chemistry Reference | 1,4-Cyclohexanedicarboxylic acid(1076-97-7) | | EPA Substance Registry System | 1,4-Cyclohexanedicarboxylic acid (1076-97-7) |
| Hazard Codes | Xn | | Risk Statements | 22-36 | | Safety Statements | 26-36-24/25 | | WGK Germany | 3 | | RTECS | GU9060000 | | TSCA | TSCA listed | | HS Code | 29172090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2 |
| | 1,4-Cyclohexanedicarboxylic acid Usage And Synthesis |
| Chemical Properties | white fine crystalline powder | | Uses | 1,4-Cyclohexanedicarboxylic acid may be used in the synthesis of:
- polyesters
- polyamides
- poly(butylene adipate-co-butylene 1,4-cyclohexanedicarboxylate) copolyester
- various polyester polyols
| | Definition | ChEBI: 1,4-cyclohexanedicarboxylic acid is a dicarboxylic acid that is cyclohexane substituted by carboxy groups at positions 1 and 4. | | General Description | 1,4-Cyclohexanedicarboxylic acid (1,4-CHDA) has cyclohexane based structure. CHDA has better weatherability, higher impact strength, and faster stress relaxation. CHDA exhibits three isomeric forms:
- axial, axial (a,a) trans-isomer
- equatorial, equatorial (e,e) trans-isomer
- a,e cis-isomer
| | Flammability and Explosibility | Non flammable | | Synthesis | The general procedure for synthesizing cis-1,4-cyclohexanedicarboxylic acid from terephthalic acid was as follows: 200 g of terephthalic acid, 15 g of the Pd-Pt/C catalyst described in Examples 1 to 14 and 1000 g of water were added to an autoclave, and stirring was initiated. The reaction system was first purged with nitrogen three times, followed by replacement with hydrogen three times. The hydrogen pressure was adjusted to 4 MPa and the reaction temperature was kept stable at 200 °C, and the hydrogen was continuously supplied for the reaction for 3 hours. After the reaction was completed, the catalyst was removed by filtration while hot. The filtrate was cooled and filtered again to collect the filter cake. The filter cake was dried at 120 °C to obtain the solid product. The solid product was analyzed by liquid chromatography to determine the contents of 1,4-cyclohexanedicarboxylic acid and trans-1,4-cyclohexanedicarboxylic acid therein, from which the yield of 1,4-cyclohexanedicarboxylic acid and the selectivity of trans-1,4-cyclohexanedicarboxylic acid were calculated and the results are recorded in Table 2. | | References | [1] Patent: CN103769089, 2016, B. Location in patent: Paragraph 0029; 0030
[2] RSC Advances, 2017, vol. 7, # 30, p. 18178 - 18188
[3] Patent: CN105237341, 2016, A. Location in patent: Paragraph 0014
[4] Patent: KR2017/36493, 2017, A. Location in patent: Paragraph 0057; 0058; 0059
[5] Patent: KR2018/35585, 2018, A. Location in patent: Paragraph 0117-0121; 0145; 0146 |
| | 1,4-Cyclohexanedicarboxylic acid Preparation Products And Raw materials |
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