Dimethyl butylmalonate supplier

Name
Dimethyl butylmalonate
EINECS 254-489-2
CAS No. 39520-22-4
Article Data12
CAS DataBase
Density 1.02 g/cm³
Solubility
Melting Point
Formula C₉H₁₆O₄
Boiling Point 219.6 °C at 760 mmHg
Molecular Weight 188.224
Flash Point 97.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanedioicacid, butyl-, dimethyl ester (9CI);Butylmalonic acid dimethyl ester;Dimethyl2-butylmalonate;Dimethyl butylmalonate;Dimethyl a-butylmalonate;
PSA 52.60000
LogP 1.13880

Dimethyl butylmalonate Specification

The Dimethyl butylmalonate, with the CAS registry number 39520-22-4 and EINECS registry number, has the IUPAC name of dimethyl 2-butylpropanedioate. It is also called Propanedioic acid, butyl-, dimethyl ester. And the molecular formula of the chemical is C₉H₁₆O₄.

The characteristics of Dimethyl butylmalonate are as followings: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.425; (8)Molar Refractivity: 47.25 cm³; (9)Molar Volume: 184.4 cm³; (10)Polarizability: 18.73×10^-24cm³; (11)Surface Tension: 31.5 dyne/cm; (12)Density: 1.02 g/cm³; (13)Flash Point: 97.3 °C; (14)Enthalpy of Vaporization: 45.6 kJ/mol; (15)Boiling Point: 219.6 °C at 760 mmHg; (16)Vapour Pressure: 0.118 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC)C(C(=O)OC)CCCC
(2)InChI: InChI=1/C9H16O4/c1-4-5-6-7(8(10)12-2)9(11)13-3/h7H,4-6H2,1-3H3
(3)InChIKey: UVCBPUQNMGFVAA-UHFFFAOYAB

Product Name

Dimethyl butylmalonate

Dimethyl butylmalonate Specification

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