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3-Hydroxy-2,2-dimethyl-butyric acid ethyl ester

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Name

3-Hydroxy-2,2-dimethyl-butyric acid ethyl ester

EINECS
CAS No. 69737-23-1 Density 0.989 g/cm3
Solubility Melting Point
Formula C8H16O3 Boiling Point 228.251 °C at 760 mmHg
Molecular Weight 160.21 Flash Point 87.3 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 69737-23-1 (3-Hydroxy-2,2-dimethyl-butyric acid ethyl ester) Hazard Symbols
Synonyms

Ethyl 3-hydroxy-2,2-dimethylbutanoate;

 

3-Hydroxy-2,2-dimethyl-butyric acid ethyl ester Specification

The 3-Hydroxy-2,2-dimethyl-butyric acid ethyl ester, with the CAS registry number 69737-23-1, is also known as Butanoic acid, 3-hydroxy-2,2-dimethyl-, ethyl ester. It belongs to the product category of All Aliphatics. This chemical's molecular formula is C8H16O3 and molecular weight is 160.21. What's more, its systematic name is called Ethyl 3-hydroxy-2,2-dimethylbutanoate.

Physical properties about 3-Hydroxy-2,2-dimethyl-butyric acid ethyl ester are: (1)ACD/LogP: 0.862; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 2.66; (6)ACD/BCF (pH 7.4): 2.66; (7)ACD/KOC (pH 5.5): 70.15; (8)ACD/KOC (pH 7.4): 70.15; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.53 Å2; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 42.346 cm3; (15)Molar Volume: 162.002 cm3; (16)Polarizability: 16.787×10-24cm3; (17)Surface Tension: 31.690 dyne/cm; (18)Density: 0.989 g/cm3; (19)Flash Point: 87.3 °C; (20)Enthalpy of Vaporization: 54.041 kJ/mol; (21)Boiling Point: 228.251 °C at 760 mmHg; (22)Vapour Pressure: 0.0140 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(C)(C)C(O)C
(2) InChI: InChI=1S/C8H16O3/c1-5-11-7(10)8(3,4)6(2)9/h6,9H,5H2,1-4H3
(3) InChIKey: DPZVLAWBYJYWFX-UHFFFAOYSA-N

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