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| CAS No.: | 109-44-4 |
|---|---|
| Name: | BIS(2-ETHOXYETHYL)ADIPATE |
| Molecular Structure: | |
|
|
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| Formula: | C14H26 O6 |
| Molecular Weight: | 290.357 |
| Synonyms: | Adipicacid, bis(2-ethoxyethyl) ester (6CI,7CI,8CI); Hexanedioic acid,bis(2-ethoxyethyl) ester (9CI); Ethanol, 2-ethoxy-, adipate (2:1) (8CI);Bis(2-ethoxyethyl) adipate; Di(2-Ethoxyethyl)adipate; NSC 6796 |
| EINECS: | 203-673-0 |
| Density: | 1.038 g/mL at 25 °C(lit.) |
| Boiling Point: | 164-166 °C4 mm Hg(lit.) |
| Flash Point: | >230 °F |
| Appearance: | Clear colorless liquid |
| Hazard Symbols: |
|
| Risk Codes: | 36/37/38 |
| Safety: | A severe skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 71.06000 |
| LogP: | 1.70620 |
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Chemistry
IUPAC Name: bis(2-ethoxyethyl) hexanedioate
Empirical Formula: C14H26O6
Molecular Weight: 290.3526g/mol
XLogP3-AA: 1
H-Bond Donor: 0
H-Bond Acceptor: 6
Rotatable Bond Count: 15
Exact Mass: 290.172939
MonoIsotopic Mass: 290.172939
Topological Polar Surface Area: 71.1
Heavy Atom Count: 20
Formal Charge: 0
Complexity: 228
Index of Refraction: 1.442
Molar Refractivity: 73.94 cm3
Molar Volume: 279.3 cm3
Polarizability: 29.31×10-24cm3
Surface Tension: 34.7 dyne/cm
Density: 1.039 g/cm3
Flash Point: 153.7 °C
Enthalpy of Vaporization: 60.46 kJ/mol
Boiling Point: 359.1 °C at 760 mmHg
Vapour Pressure: 2.44E-05 mmHg at 25°C
Canonical SMILES: CCOCCOC(=O)CCCCC(=O)OCCOCC
InChI: InChI=1S/C14H26O6/c1-3-17-9-11-19-13(15)7-5-6-8-14(16)20-12-10-18-4-2/h3-12H2,1-2H3
InChIKey: NJEMMCIKSMMBDM-UHFFFAOYSA-N
Structure of Bis(2-ethoxyethyl) adipate (CAS NO.109-44-4):
Toxicity Data With Reference
| 1. | skn-man 50 mg/24H MLD | CTOIDG Cosmetics and Toiletries. 94 (8)(1979),41. | ||
| 2. | skn-rat 100 mg/24H MLD | CTOIDG Cosmetics and Toiletries. 94 (8)(1979),41. | ||
| 3. | skn-rbt 100 mg/24H SEV | CTOIDG Cosmetics and Toiletries. 94 (8)(1979),41. | ||
| 4. | skn-gpg 100 mg/24H MLD | CTOIDG Cosmetics and Toiletries. 94 (8)(1979),41. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes:
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: AU9300000
TSCA: T
A severe skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
Bis(2-ethoxyethyl) adipate , its cas register number is 109-44-4. It also can be called 4-02-00-01968 (Beilstein Handbook Reference) ; AI3-00675 ; BRN 1799041 ; EINECS 203-673-0 ; NSC 6796 . When heated to decomposition it emits acrid smoke and irritating fumes. Bis(2-ethoxyethyl) adipate (CAS NO.109-44-4) is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And wear suitable protective clothing when contacting with it.