Butanoic acid,3-(acetyloxy)-,ethyl ester supplier

Name
DL-3-ACETOXYBUTYRIC ACID ETHYL ESTER
EINECS
CAS No. 27846-49-7
Article Data9
CAS DataBase
Density 1.037 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O₄
Boiling Point 155.6 °C at 760 mmHg
Molecular Weight 174.197
Flash Point 60.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetoxybutyricacidethylester;Ethyl 3-(acetyloxy)butanoate;Ethyl (±)-3-acetoxybutyrate;Ethyl 3-acetoxybutanoate;
PSA 52.60000
LogP 0.89120

Butanoic acid,3-(acetyloxy)-,ethyl ester Specification

The Butanoic acid,3-(acetyloxy)-,ethyl ester, with the CAS registry number of 27846-49-7, is also known as Acetoxybutyricacidethylester. The molecular formula of this chemical is C₈H₁₄O₄ and its molecular weight is 174.19. What's more, its systematic name is Ethyl 3-(acetyloxy)butanoate.

Physical properties about Butanoic acid,3-(acetyloxy)-,ethyl ester are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.98; (6)ACD/BCF (pH 7.4): 5.98; (7)ACD/KOC (pH 5.5): 125.14; (8)ACD/KOC (pH 7.4): 125.14; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.421; (14)Molar Refractivity: 42.62 cm³; (15)Molar Volume: 167.9 cm³; (16)Polarizability: 16.89×10^-24 cm³; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 1.037 g/cm³; (19)Flash Point: 60.3 °C; (20)Enthalpy of Vaporization: 39.24 kJ/mol; (21)Boiling Point: 155.6 °C at 760 mmHg; (22)Vapour Pressure: 3 mmHg at 25 °C.

Preparation of Butanoic acid,3-(acetyloxy)-,ethyl ester: this chemical is prepared by 3-Acetoxy-crotonic acid ethyl ester at ambient temperature. This reaction needs reagent H₂ and catalyst 5percent Rh/C. The reaction pressure is 760.0002 Pa. The yield is about 100 %.

The Butanoic acid,3-(acetyloxy)-,ethyl ester can be obtained by 3-Acetoxy-crotonic acid ethyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(CC(=O)OCC)C)C
(2) InChI: InChI=1/C8H14O4/c1-4-11-8(10)5-6(2)12-7(3)9/h6H,4-5H2,1-3H3
(3) InChIKey: JFWYJXYRFBRWSH-UHFFFAOYAE

Product Name

DL-3-ACETOXYBUTYRIC ACID ETHYL ESTER

Butanoic acid,3-(acetyloxy)-,ethyl ester Specification

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