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| CAS No.: | 141-28-6 |
|---|---|
| Name: | Diethyl adipate |
| Article Data: | 98 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C10H18O4 |
| Molecular Weight: | 202.251 |
| Synonyms: | Adipicacid, diethyl ester (6CI,8CI);Hexanedioic acid, diethyl ester (9CI);Hexanedioic acid,1,6-diethyl ester;Diethyl hexanedioate;Ethyl adipate;Ethyl d-carboethoxyvalerate;NSC 19160;NSC 3363; |
| EINECS: | 205-477-0 |
| Density: | 1.008 g/cm3 |
| Melting Point: | -20 - -19 °C(lit.) |
| Boiling Point: | 246.7 °C at 760 mmHg |
| Flash Point: | 111.4 °C |
| Solubility: | Insoluble |
| Appearance: | colorless liquid |
| Safety: | 24/25 |
| PSA: | 52.60000 |
| LogP: | 1.67300 |
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Chemistry
Structure of Diethyl adipate (CAS NO.141-28-6):
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IUPAC Name: diethyl hexanedioate
Empirical Formula: C10H18O4
Molecular Weight: 202.2475
EINECS: 205-477-0
Index of Refraction: 1.431
Molar Refractivity: 51.92 cm3
Molar Volume: 200.5 cm3
Polarizability: 20.58×10-24cm3
Surface Tension: 32.6 dyne/cm
Density: 1.008 g/cm3
Flash Point: 111.4 °C
Enthalpy of Vaporization: 48.38 kJ/mol
Melting Point: −20-−19 °C(lit.)
Boiling Point: 246.7 °C at 760 mmHg
Vapour Pressure: 0.0268 mmHg at 25°C
Physical Appearance: clear colorless liquid
Product Categories: Fatty Acid Esters (Plasticizer);Functional Materials;Plasticizer;Plasticizers;Polymer Additives;Polymer Science
Canonical SMILES: CCOC(=O)CCCCC(=O)OCC
InChI: InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
InChIKey: VIZORQUEIQEFRT-UHFFFAOYSA-N
Uses
Diethyl adipate (CAS NO.141-28-6) is an intermediate widely used in organic synthesis. It is also used as a plasticizer and solvent.
Toxicity Data With Reference
| 1. | dlt-mus-ipr 1100 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 32 (1975),566. | ||
| 2. | ipr-mus LD50:2190 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 32 (1975),566. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: AV1100000
HS Code: 29171290
Moderately toxic by intraperitoneal route. Experimental reproductive effects. Mutation data reported. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
Diethyl adipate , its cas register number is 141-28-6. It also can be called 1,6-Diethyl hexanedioate ; Diethyl adipatate ; Diethyl1,6-hexanedioate ; Diethylester kyseliny adipove ; Diethylesterkyselinyadipove ; Ethyl delta-carboethoxyvalerate ; Ethyldelta-carboethoxyvalerate ; Ethyl adipate . It should be kept in container closed when not in use and stored in a cool, dry, well-ventilated area away from incompatible substances.