Dimethyl isopropylidenemalonate supplier

Name
dimethyl isopropylidenemalonate
EINECS
CAS No. 22035-53-6
Article Data11
CAS DataBase
Density 1.07 g/cm³
Solubility
Melting Point
Formula C₈H₁₂O₄
Boiling Point 178.9 °C at 760 mmHg
Molecular Weight 172.181
Flash Point 75.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dimethyl (1-methylethylidene)propanedioate;Dimethyl isopropylidenemalonate;
PSA 52.60000
LogP 0.66880

Dimethyl isopropylidenemalonate Specification

The Propanedioicacid, 2-(1-methylethylidene)-, 1, 3-dimethyl ester, with the CAS registry number of 22035-53-6, is also known as Dimethyl isopropylidenemalonate. This chemical's molecular formula is C₈H₁₂O₄ and molecular weight is 172.17848. What's more, its systematic name is Dimethyl (1-methylethylidene)propanedioate.

Physical properties about Propanedioicacid, 2-(1-methylethylidene)-, 1, 3-dimethyl ester are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 12.04; (6)ACD/BCF (pH 7.4): 12.04; (7)ACD/KOC (pH 5.5): 206.65; (8)ACD/KOC (pH 7.4): 206.65; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 42.4 cm³; (15)Molar Volume: 160.7 cm³; (16)Polarizability: 16.81×10^-24 cm³; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 75.8 °C; (20)Enthalpy of Vaporization: 41.52 kJ/mol; (21)Boiling Point: 178.9 °C at 760 mmHg; (22)Vapour Pressure: 0.967 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: O=C(OC)/C(=C(/C)C)C(=O)OC
(2) InChI: InChI=1/C8H12O4/c1-5(2)6(7(9)11-3)8(10)12-4/h1-4H3
(3) InChIKey: QJASGQYZCPDCJR-UHFFFAOYAP

Product Name

dimethyl isopropylidenemalonate

Dimethyl isopropylidenemalonate Specification

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