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40379-24-6

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Basic Information
CAS No.: 40379-24-6
Name: Isononyl acetate
Molecular Structure:
Molecular Structure of 40379-24-6 (Isononyl acetate)
Formula: C11H22O2
Molecular Weight: 186.294
Synonyms: i-Nonyl acetate;iso nonyl acetate;
EINECS: 254-898-6
Density: 0.87g/cm3
Melting Point: -26°C (estimate)
Boiling Point: 214.2°Cat760mmHg
Flash Point: 82.9°C
Solubility: 12.56mg/L at 25℃
PSA: 26.30000
LogP: 3.01190
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    Molecular Formula C11H22O2 Molecular Weight 186.29 CAS Registry Number 40379-24-6 EINECS 254-898-6 Isononyl acetate Molecu…

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Chemistry

Molecule structure of Isononyl acetate (CAS NO.40379-24-6):

IUPAC Name: 7-Methyloctyl acetate 
Molecular Weight: 186.29118 [g/mol]
Molecular Formula: C11H22O2 
Index of Refraction: 1.425
Molar Refractivity: 54.74 cm3
Molar Volume: 213.9 cm3 
Surface Tension: 27.9 dyne/cm
Density: 0.87 g/cm3
Flash Point: 82.9 °C
Enthalpy of Vaporization: 45.05 kJ/mol
Boiling Point: 214.2 °C at 760 mmHg
Vapour Pressure: 0.158 mmHg at 25 °C
XLogP3: 3.7
H-Bond Acceptor: 2
Rotatable Bond Count: 8
Exact Mass: 186.16198
MonoIsotopic Mass: 186.16198
Topological Polar Surface Area: 26.3
Heavy Atom Count: 13
Canonical SMILES: CC(C)CCCCCCOC(=O)C
InChI: InChI=1S/C11H22O2/c1-10(2)8-6-4-5-7-9-13-11(3)12/h10H,4-9H2,1-3H3
InChIKey: LJSJTXAZFHYHMM-UHFFFAOYSA-N
EINECS of Isononyl acetate (CAS NO.40379-24-6): 254-898-6

Specification

 Isononyl acetate (CAS NO.40379-24-6) is also named as Acetic acid, isononyl ester .