1,3,5-Cyclohexanetricarboxylic acid
- Product Name
- 1,3,5-Cyclohexanetricarboxylic acid
- CAS No.
- 16526-68-4
- Chemical Name
- 1,3,5-Cyclohexanetricarboxylic acid
- Synonyms
- -ol-d7;4,4 -d5;5α-diol-d5;10aβ-DIOL-85%;-OL-6-ONE;21-TETROL;10bα-(2&rdquo
- CBNumber
- CB2119867
- Molecular Formula
- C9H12O6
- Formula Weight
- 216.19
- MOL File
- 16526-68-4.mol
1,3,5-Cyclohexanetricarboxylic acid Property
- 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
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 344346
- Product name
- 1,3,5-Cyclohexanetricarboxylic acid
- Purity
- cis 95 %
- Packaging
- 10g
- Price
- $680
- Updated
- 2023/06/20
- Product number
- 344346
- Product name
- 1,3,5-Cyclohexanetricarboxylic acid
- Purity
- cis 95 %
- Packaging
- 1g
- Price
- $137
- Updated
- 2023/01/07
- Product number
- C2063
- Product name
- (1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarboxylic Acid
- Purity
- >98.0%(T)
- Packaging
- 5g
- Price
- $128
- Updated
- 2024/03/01
- Product number
- C2063
- Product name
- (1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarboxylic Acid
- Purity
- >98.0%(T)
- Packaging
- 25g
- Price
- $432
- Updated
- 2024/03/01
- Product number
- 514837
- Product name
- 1,3,5-Cyclohexanetricarboxylic acid
- Purity
- cis 90 %
- Packaging
- 1g
- Price
- $45.5
- Updated
- 2022/05/15
1,3,5-Cyclohexanetricarboxylic acid Chemical Properties,Usage,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
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View Lastest Price from 1,3,5-Cyclohexanetricarboxylic acid manufacturers
- Product
- 1,3,5-Cyclohexanetricarboxylic acid 16526-68-4
- Price
- US $30.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 2000kg
- Release date
- 2024-03-20
- Product
- 1,3,5-Cyclohexanetricarboxylic acid 16526-68-4
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 50000KG/month
- Release date
- 2024-03-01
- Product
- CIS,CIS-1,3,5-CYCLOHEXANETRICARBOXYLIC ACID 16526-68-4
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2019-12-31