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849-99-0

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Basic Information
CAS No.: 849-99-0
Name: DICYCLOHEXYL ADIPATE
Article Data: 19
Molecular Structure:
Molecular Structure of 849-99-0 (DICYCLOHEXYL ADIPATE)
Formula: C18H30 O4
Molecular Weight: 310.434
Synonyms: Adipicacid, dicyclohexyl ester (6CI,7CI,8CI); Hexanedioic acid, dicyclohexyl ester(9CI); Dicyclohexyl adipate; Ergoplast ADC; NSC 4199
Density: 1.05g/cm3
Melting Point: 35°C
Boiling Point: 402.4°C at 760 mmHg
Flash Point: 192.7°C
Safety: Mildly toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. When heated to decomposition it emits acrid smoke and fumes.
PSA: 52.60000
LogP: 4.29860
Related products
Synthetic route
201230-82-2

carbon monoxide

106-99-0

buta-1,3-diene

108-93-0

cyclohexanol

849-99-0

dicyclohexyl adipate

Conditions
ConditionsYield
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.
...Expand
3195-37-7

diphenyl 1,6-hexanedioate

849-99-0

dicyclohexyl adipate

Conditions
ConditionsYield
With nickel at 150℃; under 73550.8 Torr; Hydrogenation;
108-94-1

cyclohexanone

108-93-0

cyclohexanol

849-99-0

dicyclohexyl adipate

Conditions
ConditionsYield
With potassium permanganate; air at 85℃;
124-04-9

Adipic acid

108-93-0

cyclohexanol

849-99-0

dicyclohexyl adipate

Conditions
ConditionsYield
at 140℃;
With hydrogenchloride
With sulfuric acid; water; copper(II) sulfate
4645-15-2

dicyclohexyl ether

849-99-0

dicyclohexyl adipate

Conditions
ConditionsYield
With ozone In ethyl acetate at 8 - 10℃;
110-15-6

succinic acid

108-93-0

cyclohexanol

849-99-0

dicyclohexyl adipate

Conditions
ConditionsYield
With adipic acid anhydride In benzene at 120℃; for 1h;0.0125 mol
5156-40-1

cyclohexyl nitrite

air

air

A

124-04-9

Adipic acid

B

849-99-0

dicyclohexyl adipate

C

108-94-1

cyclohexanone

D

108-93-0

cyclohexanol

...Expand
110-82-7

cyclohexane

A

124-04-9

Adipic acid

B

849-99-0

dicyclohexyl adipate

C

108-94-1

cyclohexanone

Conditions
ConditionsYield
With N-hydroxyphthalimide; bromine; oxygen; 1,10-phenanthroline hydrate In tetrachloromethane; acetonitrile at 99.85℃; under 2250.18 Torr; for 5h;
...Expand
124-04-9

Adipic acid

108-93-0

cyclohexanol

A

849-99-0

dicyclohexyl adipate

B

54812-72-5

monocyclohexyl adipate

Conditions
ConditionsYield
In 1,2-dichloro-benzene at 160℃; Kinetics; Temperature;
...Expand
110-82-7

cyclohexane

A

124-04-9

Adipic acid

B

849-99-0

dicyclohexyl adipate

C

108-94-1

cyclohexanone

D

108-93-0

cyclohexanol

Conditions
ConditionsYield
With oxygen at 150℃; under 7500.75 Torr; for 2h; Catalytic behavior; Reagent/catalyst; Temperature; Pressure; Autoclave; High pressure;
...Expand
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Chemistry

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

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. When heated to decomposition it emits acrid smoke and fumes.

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 .