- Dicyclohexyl adipate
- Dicyclohexyl fluorophosphonate
- Dicyclohexyl ketone
- Dicyclohexyl peroxydicarbonate
- Dicyclohexyl phthalate
- Dicyclohexyl(2,4,6-triisopropylphenyl)phosphine
- Dicyclohexyl-3,4,3',4'-tetracarboxylic dianhydride
- Dicyclohexylamine
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Cas Database |
| Name |
Dicyclohexyl adipate |
EINECS | N/A |
| CAS No. | 849-99-0 | Density | 1.05g/cm3 |
| PSA | 52.60000 | LogP | 4.29860 |
| Solubility | N/A | Melting Point |
35°C |
| Formula | C18H30 O4 | Boiling Point | 402.4°C at 760 mmHg |
| Molecular Weight | 310.434 | Flash Point | 192.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mildly toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. When heated to decomposition it emits acrid smoke and fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Adipicacid, dicyclohexyl ester (6CI,7CI,8CI); Hexanedioic acid, dicyclohexyl ester(9CI); Dicyclohexyl adipate; Ergoplast ADC; NSC 4199 |
Article Data | 19 |
Dicyclohexyl adipate Synthetic route
| Conditions | Yield |
|---|---|
| With palladium(II) trifluoroacetate; toluene-4-sulfonic acid; 1,2-bis[di(t-butyl)phosphinomethyl]benzene In toluene at 120℃; under 30003 Torr; for 24h; Autoclave; Green chemistry; regioselective reaction; | 73% |
| With palladium(II) trifluoroacetate; HeMaRaphos; toluene-4-sulfonic acid In toluene at 120℃; under 30003 Torr; for 24h; regioselective reaction; | 83 %Chromat. |
| Conditions | Yield |
|---|---|
| With nickel at 150℃; under 73550.8 Torr; Hydrogenation; |
| Conditions | Yield |
|---|---|
| With potassium permanganate; air at 85℃; |
| Conditions | Yield |
|---|---|
| at 140℃; | |
| With hydrogenchloride | |
| With sulfuric acid; water; copper(II) sulfate |
| Conditions | Yield |
|---|---|
| With ozone In ethyl acetate at 8 - 10℃; |
| Conditions | Yield |
|---|---|
| With adipic acid anhydride In benzene at 120℃; for 1h; | 0.0125 mol |
- 5156-40-1
cyclohexyl nitrite
A
- 124-04-9
Adipic acid
B
- 849-99-0
dicyclohexyl adipate
C
- 108-94-1
cyclohexanone
D
- 108-93-0
cyclohexanol
| Conditions | Yield |
|---|---|
| With N-hydroxyphthalimide; bromine; oxygen; 1,10-phenanthroline hydrate In tetrachloromethane; acetonitrile at 99.85℃; under 2250.18 Torr; for 5h; |
- 124-04-9
Adipic acid
- 108-93-0
cyclohexanol
A
- 849-99-0
dicyclohexyl adipate
B
- 54812-72-5
monocyclohexyl adipate
| Conditions | Yield |
|---|---|
| In 1,2-dichloro-benzene at 160℃; Kinetics; Temperature; |
Dicyclohexyl adipate Chemical Properties
Product Name: Dicyclohexyl adipate (CAS NO.849-99-0)
Molecular Formula: C18H30O4
Molecular Weight: 310.43g/mol
Mol File: 849-99-0.mol
Einecs: 212-702-6
Boiling point: 402.4 °C at 760 mmHg
Flash Point: 192.7 °C
Density: 1.05 g/cm3
Surface Tension: 39.4 dyne/cm
Enthalpy of Vaporization: 65.35 kJ/mol
Vapour Pressure: 1.1E-06 mmHg at 25°C
XLogP3-AA: 4.2
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Dicyclohexyl adipate (CAS NO.849-99-0):
IUPAC Name: dicyclohexyl hexanedioate
Canonical SMILES: C1CCC(CC1)OC(=O)CCCCC(=O)OC2CCCCC2
InChI: InChI=1S/C18H30O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h15-16H,1-14H2
InChIKey: UTGUHFOMNVLJSL-UHFFFAOYSA-N
Dicyclohexyl adipate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 5101uL/kg (5.101mL/kg) | Journal of Pharmaceutical Sciences. Vol. 62, Pg. 1596, 1973. | |
| rat | LD50 | oral | 16gm/kg (16000mg/kg) | Roczniki Panstwowego Zakladu Higieny. Vol. 18, Pg. 283, 1967. |
Dicyclohexyl adipate Consensus Reports
Reported in EPA TSCA Inventory.
Dicyclohexyl adipate Safety Profile
Mildly toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. When heated to decomposition it emits acrid smoke and fumes.
Dicyclohexyl adipate Specification
Dicyclohexyl adipate ,its CAS NO. is 849-99-0,the synonyms is Hexanedioic acid, 1,6-dicyclohexyl ester ; AI3-01028 ; Adipic acid, dicyclohexyl ester ; BRN 1997888 ; EINECS 212-702-6 ; Ergoplast ADC ; Hexanedioic acid, dicyclohexyl ester ; NSC 4199 .
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