Dicyclohexyl adipate supplier

Name
DICYCLOHEXYL ADIPATE
EINECS
CAS No. 849-99-0
Article Data19
CAS DataBase
Density 1.05g/cm³
Solubility
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
Appearance
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
Molecular Structure
Hazard Symbols
Synonyms Adipicacid, dicyclohexyl ester (6CI,7CI,8CI); Hexanedioic acid, dicyclohexyl ester(9CI); Dicyclohexyl adipate; Ergoplast ADC; NSC 4199
PSA 52.60000
LogP 4.29860

Synthetic route

: 201230-82-2
carbon monoxide

: 106-99-0
buta-1,3-diene

: 108-93-0
cyclohexanol

: 849-99-0
dicyclohexyl adipate

Conditions

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.

...Expand

: 3195-37-7
diphenyl 1,6-hexanedioate

: 849-99-0
dicyclohexyl adipate

Conditions

Conditions	Yield
With nickel at 150℃; under 73550.8 Torr; Hydrogenation;

: 108-94-1
cyclohexanone

: 108-93-0
cyclohexanol

: 849-99-0
dicyclohexyl adipate

Conditions

Conditions	Yield
With potassium permanganate; air at 85℃;

: 124-04-9
Adipic acid

: 108-93-0
cyclohexanol

: 849-99-0
dicyclohexyl adipate

Conditions

Conditions	Yield
at 140℃;
With hydrogenchloride
With sulfuric acid; water; copper(II) sulfate

: 4645-15-2
dicyclohexyl ether

: 849-99-0
dicyclohexyl adipate

Conditions

Conditions	Yield
With ozone In ethyl acetate at 8 - 10℃;

: 110-15-6
succinic acid

: 108-93-0
cyclohexanol

: 849-99-0
dicyclohexyl adipate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

...Expand

: 849-99-0
dicyclohexyl adipate

: 124-04-9
Adipic acid

Conditions

Conditions	Yield
With water; Aliquat 336; sodium hydroxide In cyclohexane; cyclohexanone; cyclohexanol at 70℃; for 1.5h; Reagent/catalyst;

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 .

Product Name

DICYCLOHEXYL ADIPATE

Synthetic route

Dicyclohexyl adipate Chemical Properties

Dicyclohexyl adipate Toxicity Data With Reference

Dicyclohexyl adipate Consensus Reports

Dicyclohexyl adipate Safety Profile

Dicyclohexyl adipate Specification

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