ChemicalBook > CAS DataBase List > 1,3,5-Cyclohexanetricarboxylic acid

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
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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
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
3
HS Code 
29172090
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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.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
344346
Product name
1,3,5-Cyclohexanetricarboxylic acid
Purity
cis 95 %
Packaging
10g
Price
$680
Updated
2023/06/20
Sigma-Aldrich
Product number
344346
Product name
1,3,5-Cyclohexanetricarboxylic acid
Purity
cis 95 %
Packaging
1g
Price
$137
Updated
2023/01/07
TCI Chemical
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
TCI Chemical
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
Sigma-Aldrich
Product number
514837
Product name
1,3,5-Cyclohexanetricarboxylic acid
Purity
cis 90 %
Packaging
1g
Price
$45.5
Updated
2022/05/15
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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

hebei hongtan Biotechnology Co., Ltd
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
Hebei Mojin Biotechnology Co., Ltd
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
Career Henan Chemical Co
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

16526-68-4, 1,3,5-Cyclohexanetricarboxylic acidRelated Search:

Methyl cyclohexanecarboxylate CIS,CIS-1,3,5-CYCLOHEXANETRICARBOXYLIC ACID TECHNICAL, ≥90% (T),CIS,CIS-1,3,5-CYCLOHEXANETRICARBOXYLIC ACID TECHNICAL, ≥90% (T) 1,1,3-Cyclohexanetricarboxylic acid (1α,2α,4α)-1,2,4-Cyclohexanetricarboxylic Acid cis,cis-1,3,5-Tripropyl-1,3,5-cyclohexanetricarboxylic acid 1,3,5-Cyclohexanetricarboxylic acid 1,3,5-CYCLOHEXANETRICARBOXYLIC ACID,1,3,5-Cyclohexanetricarboxylic Acid (cis- and trans- mixture) 1,3,5,7-ADAMANTANETETRACARBOXYLIC ACID PENTAMETHYL CYCLOHEXANE-1,1,3,3,5-PENTACARBOXYLATE Trimethyl cis,cis-1,3,5-cyclohexanetricarboxylate cis,cis-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic acid (Kemp''s triacid) TRIMETHYL CIS,CIS-1,3,5-TRIPROPYL-1,3,5-CYCLOHEXANETRICARBOXYLATE 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid LABOTEST-BB LT00453217

  • 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
  • -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
  • -Deoxy-Zebularine 5&rsquo
  • -diol 3-Sulfate Sodium Salt-d3
  • )-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-6-oxomorphinanium Iodide
  • -TRIOL-20-ONE
  • 21-DIOL-3, 20-DIONE 11-ACETATE
  • 4,4 -d5
  • -p-TOLUENESULPHONATE
  • -PREGNAN-21-CHLORO-3&alpha
  • -ETHYNYL-6&alpha
  • -OL-6-ONE METHYL ESTER
  • 4, 6-ANDROSTADIEN-17&alpha