1,3,5-Cyclohexanetricarboxylic acid
![1,3,5-Cyclohexanetricarboxylic acid Structure](CAS/GIF/16526-68-4.gif)
- CAS No.
- 16526-68-4
- Chemical Name:
- 1,3,5-Cyclohexanetricarboxylic acid
- Synonyms
- -ol-d7;5α4,4 -d5;10aβ-diol-d5;-DIOL-85%;-OL-6-ONE;21-TETROL;10bα-(2&rdquo
- CBNumber:
- CB2119867
- Molecular Formula:
- C9H12O6
- Molecular Weight:
- 216.19
- MOL File:
- 16526-68-4.mol
- Modify Date:
- 2024/3/20 19:26:33
Melting point | 216-220 °C |
---|---|
Boiling point | 372.4±42.0 °C(Predicted) |
Density | 1.509±0.06 g/cm3(Predicted) |
storage temp. | Sealed in dry,Room Temperature |
solubility | soluble in Methanol |
form | powder to crystal |
pka | 3.45±0.10(Predicted) |
color | White to Almost white |
BRN | 3120108 |
InChI | InChI=1/C9H12O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h4-6H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+,6- |
InChIKey | FTHDNRBKSLBLDA-FPFOFBBKSA-N |
SMILES | [C@@H]1(C(=O)O)C[C@@H](C[C@H](C(=O)O)C1)C(=O)O |&1:0,5,7,r| |
CAS DataBase Reference | 16526-68-4 |
SAFETY
Risk and Safety Statements
Symbol(GHS) | ![]() GHS07 |
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Signal word | Warning | |||||||||
Hazard statements | H315-H319-H335 | |||||||||
Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
Hazard Codes | Xi | |||||||||
Risk Statements | 36/37/38 | |||||||||
Safety Statements | 26-36 | |||||||||
WGK Germany | 3 | |||||||||
HS Code | 29172090 | |||||||||
NFPA 704 |
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1,3,5-Cyclohexanetricarboxylic acid price More Price(5)
Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
---|---|---|---|---|---|---|---|
Sigma-Aldrich(India) | 514837 | 1,3,5-Cyclohexanetricarboxylic acid cis 90?% | 16526-68-4 | 1G | ₹3355.75 | 2022-06-14 | Buy |
Sigma-Aldrich(India) | 344346 | 1,3,5-Cyclohexanetricarboxylic acid cis 95?% | 16526-68-4 | 1G | ₹10716.75 | 2022-06-14 | Buy |
Sigma-Aldrich(India) | 344346 | 1,3,5-Cyclohexanetricarboxylic acid cis 95?% | 16526-68-4 | 10G | ₹42682.98 | 2022-06-14 | Buy |
TCI Chemicals (India) | C2063 | (1α,3α,5α)-1,3,5-Cyclohexanetricarboxylic Acid min. 96.0 % | 16526-68-4 | 5G | ₹13000 | 2022-05-26 | Buy |
TCI Chemicals (India) | C2063 | (1α,3α,5α)-1,3,5-Cyclohexanetricarboxylic Acid min. 96.0 % | 16526-68-4 | 25G | ₹22900 | 2022-05-26 | Buy |
1,3,5-Cyclohexanetricarboxylic acid Chemical Properties,Uses,Production
Uses
Used as an organic intermediate.
Synthesis
A mixture of 18 g (85 mmol) of trimesic acid, 2 g (10% mass equiv) of 5% rhodium on alumina,22 and 300 mL of water was hydrogenated at 70 °C and 50 psi. Uptake was complete in 7 h and the yield was almost quantitative. The filtrate was concentrated to give a white solid. The acid obtained was mostly the cis,cis form (cis,cis/cis,trans = 7:1). Recrystalization from ethanol-toluene solution gave the cis,cis isomer, 1,3,5-Cyclohexanetricarboxylic acid, quantitative yield mp 218-219 °C (lit.23 mp 218 °C); 1H NMR (500 MHz, CDCl3) δ11.51 (br s, 3H), 1.91 (dd, J = 5.5 Hz, J = 5.0 Hz, 3H), 1.83 (dd, J = 13.0 Hz, J = 5.0 Hz, 3H), 1.02 (dd, J = 13.0 Hz, J = 5.5 Hz, 3H); 13C NMR (500 MHz, CDCl3) δ175.44, 40.79, 29.91; IR (cm-1) 2917, 2850, 1708, 1616, 1418, 1289, 1261.
Purification Methods
Purify it also by conversion to the triethyl ester b 217-218o/10mm, 151o/1mm, the distillate solidifies on cooling, m 36-37o, which is hydrolysed by boiling in aqueous HCl. The trimethyl ester can be distilled and recrystallised from Et2O, m 48-49o. [Newman & Lawrie J Am Chem Soc 76 4598 1954, Lukes &S Galik Coll Czech Chem Comm 19 712 1954, Beilstein 9 III 4749.]
1,3,5-Cyclohexanetricarboxylic acid Preparation Products And Raw materials
Raw materials
Preparation Products
1,3,5-Cyclohexanetricarboxylic acid Suppliers
Supplier | Tel | Country | ProdList | Advantage | Inquiry |
---|---|---|---|---|---|
TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
WeiHai NewEra Kesense New Matertial Co.,Ltd | +86-6317336369 +86-13326315369 | China | 8 | 58 | Inquiry |
Hebei Mojin Biotechnology Co., Ltd | +8613288715578 | China | 12459 | 58 | Inquiry |
hebei hongtan Biotechnology Co., Ltd | +86-86-1913198-3935 +8617331935328 | China | 973 | 58 | Inquiry |
CONIER CHEM AND PHARMA LIMITED | +8618523575427 | China | 49391 | 58 | Inquiry |
career henan chemical co | +86-0371-86658258 +8613203830695 | China | 29826 | 58 | Inquiry |
Kindchem(Nanjing)Co.,Ltd | +86-025-025-85281586 +8618651653755 | China | 1227 | 58 | Inquiry |
Hefei TNJ Chemical Industry Co.,Ltd. | 0551-65418671 | China | 34571 | 58 | Inquiry |
CD Chemical Group Limited | +8615986615575 | China | 20356 | 58 | Inquiry |
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