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CAS No.: | 39520-24-6 |
---|---|
Name: | Dimethyl isobutylmalonate |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H16 O4 |
Molecular Weight: | 188.224 |
Synonyms: | Propanedioicacid, (2-methylpropyl)-, dimethyl ester (9CI); Dimethyl isobutylmalonate |
EINECS: | 254-490-8 |
Density: | 1.012 |
Boiling Point: | 213 ºC |
Flash Point: | 208 ºF |
Appearance: | colorless to light yellow clear liquid |
Hazard Symbols: | |
Risk Codes: | R36/37/38 |
Safety: | S26;S36 |
PSA: | 52.60000 |
LogP: | 0.99470 |
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Molecular structure of Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester (CAS NO.39520-24-6):
IUPAC Name: Dimethyl 2-(2-methylpropyl)propanedioate
Molecular Weight: 188.22094 [g/mol]
Molecular Formula: C9H16O4
Index of Refraction: 1.424
Molar Refractivity: 47.21 cm3
Molar Volume: 184.8 cm3
Surface Tension: 30.5 dyne/cm
Density: 1.018 g/cm3
Flash Point: 89.4 °C
Enthalpy of Vaporization: 44.32 kJ/mol
Boiling Point: 207 °C at 760 mmHg
Vapour Pressure: 0.231 mmHg at 25 °C
XLogP3-AA: 1.9
H-Bond Acceptor: 4
Rotatable Bond Count: 6
Exact Mass: 188.104859
MonoIsotopic Mass: 188.104859
Topological Polar Surface Area: 52.6
Heavy Atom Count: 13
Canonical SMILES: CC(C)CC(C(=O)OC)C(=O)OC
InChI: InChI=1S/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3
InChIKey: GAZFDPSEEIVCEX-UHFFFAOYSA-N
EINECS: 254-490-8
Product Categories: Pharmaceutical Intermediates; TheMalonateRamificationProducts
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester (CAS NO.39520-24-6) is also called Malonic acid, isobutyl-, dimethyl ester ; Dimethyl isobutylmalonate ; Propanedioic acid, (2-methylpropyl)-, dimethyl ester ; Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester . Propanedioic acid, 2-(2-methylpropyl)-, 1,3-dimethyl ester (CAS NO.39520-24-6) is clear colorless to light yellow liquid.