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| CAS No.: | 54839-24-6 |
|---|---|
| Name: | 1-ETHOXY-2-PROPYL ACETATE |
| Molecular Structure: | |
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| Formula: | C7H14O3 |
| Molecular Weight: | 146.186 |
| Synonyms: | 2-Propanol,1-ethoxy-, acetate (9CI);2-Acetoxy-1-ethoxypropane; |
| EINECS: | 259-370-9 |
| Density: | 0.947 g/cm3 |
| Boiling Point: | 177.6 °C at 760 mmHg |
| Flash Point: | 56.8 °C |
| Solubility: | 69.6g/L at 18℃ |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 35.53000 |
| LogP: | 0.97450 |
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Specification
The 2-Propanol, 1-ethoxy-,2-acetate, with the CAS registry number 54839-24-6 and EINECS registry number 259-370-9, has the systematic name of 1-ethoxypropan-2-yl acetate. And the molecular formula of this chemical is C7H14O3. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of 2-Propanol, 1-ethoxy-,2-acetate are as following: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 2.37; (6)ACD/BCF (pH 7.4): 2.37; (7)ACD/KOC (pH 5.5): 64.61; (8)ACD/KOC (pH 7.4): 64.61; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 37.95 cm3; (15)Molar Volume: 154.3 cm3; (16)Polarizability: 15.04×10-24cm3; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 0.947 g/cm3; (19)Flash Point: 56.8 °C; (20)Enthalpy of Vaporization: 41.39 kJ/mol; (21)Boiling Point: 177.6 °C at 760 mmHg; (22)Vapour Pressure: 1.03 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical. Therefore, you had better keep it away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)COCC)C
(2)InChI: InChI=1/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3
(3)InChIKey: LIPRQQHINVWJCH-UHFFFAOYAL