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| CAS No.: | 10488-69-4 |
|---|---|
| Name: | ETHYLL-4-CHLORO-3-HYDROXY BUTYRATE |
| Article Data: | 184 |
| Molecular Structure: | |
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| Formula: | C6H11ClO3 |
| Molecular Weight: | 166.605 |
| Synonyms: | Butanoic acid,4-chloro-3-hydroxy-, ethyl ester;4-Chloro-3-hydroxybutanoic acid ethyl ester;4-Chloro-3-hydroxybutyric acid ethyl ester;Ethyl g-chloro-b-hydroxybutyrate; |
| EINECS: | 1308068-626-2 |
| Density: | 1.187 g/cm3 |
| Melting Point: | 136 °C |
| Boiling Point: | 263.44 °C at 760 mmHg |
| Flash Point: | 113.125 °C |
| Hazard Symbols: | R41:; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 46.53000 |
| LogP: | 0.53930 |
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Specification
Ethyl 4-chloro-3-hydroxybutanoate is an organic compound with the formula C6H11ClO3, and its systematic name is the same with the product name. With the CAS registry number 10488-69-4, it is also named as 4-Chloro-3-hydroxybutanoic acid ethyl ester. In addition, the molecular weight is 166.60.
Physical properties of Ethyl 4-chloro-3-hydroxybutanoate are: (1)ACD/LogP: 0.331; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.05; (6)ACD/BCF (pH 7.4): 1.05; (7)ACD/KOC (pH 5.5): 36.08; (8)ACD/KOC (pH 7.4): 36.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 37.964 cm3; (15)Molar Volume: 140.325 cm3; (16)Polarizability: 15.05×10-24cm3; (17)Surface Tension: 37.89 dyne/cm; (18)Density: 1.187 g/cm3; (19)Flash Point: 113.125 °C; (20)Enthalpy of Vaporization: 58.215 kJ/mol; (21)Boiling Point: 263.44 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC(O)CCl
(2)Std. InChI: InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3
(3)Std. InChIKey: ZAJNMXDBJKCCAT-UHFFFAOYSA-N