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| CAS No.: | 6938-26-7 |
|---|---|
| Name: | DL-ALPHA-HYDROXYVALERIC ACID ETHYL ESTER |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C7H14O3 |
| Molecular Weight: | 146.186 |
| Synonyms: | 2-Hydroxypentanoicacid ethyl ester;2-Hydroxyvaleric acid ethyl ester;Ethyl 2-hydroxypentanoate;Ethyl a-hydroxyvalerate;NSC 53939; |
| EINECS: | 230-066-8 |
| Density: | 1.005 g/cm3 |
| Boiling Point: | 189.4 °C at 760 mmHg |
| Flash Point: | 71 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
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- Total:14 Page 1 of 1 1
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Specification
The Pentanoic acid,2-hydroxy-, ethyl ester, with the CAS registry number 6938-26-7, is also known as Dl-2-hydroxypentanoic acid ethyl ester and Dl-alpha-hydroxyvaleric acid ethyl ester. It belongs to the product category of Esters. Its EINECS registry number is 230-066-8. This chemical's molecular formula is C7H14O3 and molecular weight is 146.18. What's more, its systematic name is Ethyl 2-hydroxypentanoate.
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Physical properties about this chemical are: (1)ACD/LogP: 0.88 # o; (2)88 ACD/LogD (pH 7.4): 0.88; (3)ACD/BCF (pH 5.5): 2.72; (4)ACD/BCF (pH 7.4): 2.72; (5)ACD/KOC (pH 5.5): 71.3; (6)ACD/KOC (pH 7.4): 71.3; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 35.53 Å2; (11)Index of Refraction: 1.432; (12)Molar Refractivity: 37.74 cm3; (13)Molar Volume: 145.4 cm3; (14)Polarizability: 14.96×10-24cm3; (15)Surface Tension: 33.3 dyne/cm; (16)Density: 1.005 g/cm3; (17)Flash Point: 71 °C; (18)Enthalpy of Vaporization: 49.53 kJ/mol; (19)Boiling Point: 189.4 °C at 760 mmHg; (20)Vapour Pressure: 0.156 mmHg at 25 °C.
Preparation of Pentanoic acid,2-hydroxy-, ethyl ester: this chemical can be prepared by 2-oxo-valeric acid ethyl ester.
This reaction needs reagent Lithium diisopropylamide and solvent Tetrahydrofuran at temperature of - 78 °C. The yield is 69 %.
Uses of Pentanoic acid,2-hydroxy-, ethyl ester: it can react with Br2 and CCl4 to give 3-Bromo-2-oxo-valeric acid ethyl ester.
The reaction occurs with reagent Br2 and solvent CCl4. The yield is 64 %.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(O)CCC
(2) InChI: InChI=1/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3
(3) InChIKey: MQGTZMCASHTGBJ-UHFFFAOYAN