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1,3,5-Cyclohexanetricarboxylic acid

1,3,5-Cyclohexanetricarboxylic acid Structure
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

1,3,5-Cyclohexanetricarboxylic acid Properties

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
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
0
2 0

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
Product number Packaging Price Buy
514837 1G ₹3355.75 Buy
344346 1G ₹10716.75 Buy
344346 10G ₹42682.98 Buy
C2063 5G ₹13000 Buy
C2063 25G ₹22900 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.
	1,3,5-Cyclohexanetricarboxylic acid synthesis

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

Global( 84)Suppliers
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TCI Chemicals (India) Pvt. Ltd. 1800 425 7889 New Delhi, India 6778 58 Inquiry
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CIS-1,3,5-CYCLOHEXANETRICARBOXYLIC ACID CIS,CIS-1,3,5-CYCLOHEXANETRICARBOXYLIC ACID 1,3,5-CYCLOHEXANETRICARBOXYLIC ACID (1ALPHA,3ALPHA,5ALPHA)-1,3,5-CYCLOHEXANETRICARBOXYLIC ACID CIS,CIS-1,3,5-CYCLOHEXANETRICARBOXYLIC 1,3,5-CYCLOHEXANETRICARBOXYLIC ACID, 95% CIS 1,3,5-CYCLOHEXANETRICARBOXYLIC ACID, 90% CIS Cyclohexanetricarboxylicaicd 1,3,5-Cyclohexanetricarboxylic acid, (1.alpha.,3.alpha.,5.alpha.)- (1α,3α,5α)-1,3,5-Cyclohexanetricarboxylic acid 1,3,5-Cyclohexanetricarboxylic acid,cis,cis-1,3,5-Cyclohexanetricarboxylic acid 1,3,5-Cyclohexanetricarboxylicacid, (1a,3a,5a)- 1,3,5-Cyclohexanetricarboxylic acid cis 90 % Cis,cis-cyclohexane-1,3,5-tricarboxylic acid 5&alpha -TRIOL 3-ACETATE METHYL ESTER 4-CHOLESTEN-2&alpha 21-DIOL-20-ONE 3-STEARATE -OL-3-ONE 3-CARBOXYMETHYLOXIME -TRIOL-6-ONE 6-CARBOXYMETHYLOXIME : BSA 4-CHOLESTEN-7&alpha -OL-3-ONE 3-O-CARBOXYMETHYLOXIME : BSA -DIOL-3-ONE 11-HEMISUCCINATE -PREGNAN-17-OL-3, 20-DIONE -OL-11, 17-DIONE GLUCOSIDURONATE 1, 3, 5(10)-ESTRATRIEN-3, 4, 16&alpha -TETROL 4-METHYL ETHER -Androstane-3,16,17-trione -OL-3, 17-DIONE SODIUM SULPHATE -DIOL 3, 17-DISULPHATE, DISODIUM SALT 17-TRIOL-20-ONE 3, 11-DIPROPIONATE -PREGNAN-16&alpha -OL-17-ONE SULPHATE, SODIUM SALT-16,16-D2 -CHOLESTAN-3, 7-DIONE -OL-3, 11-DIONE ACETATE )-17-Hydroxypregnan-3-one -CHOLESTAN-3-ONE OXIME -DIOL-17-ONE-11-METHYL ETHER OL-[3, 2-c]PYRAZOLE )-4,5-Epoxy-14-hydroxy-3-methoxy-6-oxomorphinan-17-carboxylic Acid 1,1-Dimethylethyl Ester -DIOL-3-ONE 11-HEMISUCCINATE : BSA -OL-3, 17-DIONE HEMISUCCINATE -DIOL PROPIONATE -CHLORO-6-ONE -ETHYNYL-3&alpha -OL-3, 17-DIONE BISETHYLENEKETAL )-6,17-Dihydroxy-17-methylandrostan-3-one 21,21,21-d8 -PREGNAN-3, 20-DIONE-2,2,4,4,17&alpha )-17-Dehydroxy-17-demethyl-17-oxo-N2,16-Diacetyloxy Stanozolol -BROMO-17, 21-DIOL-3, 11, 20-TRIONE 21-ACETATE -PREGNAN-4&alpha -ESTRAN-3, 17-DIONE -TRIOL 11-METHYL ETHER -DIOL-7-ONE CMO -PREGNAN-21-OL-3, 20-DIONE -Bromo-6,19-epoxycholestanol 3-Acetate -PREGNAN-11, 20-DIONE 20-ETHYLENEKETAL