Isopentyl phenethyl ether 98% supplier in China CAS NO.56011-02-0

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1. Introduction of Isopentyl phenethyl ether

Isopentyl phenethyl ether with the cas number of 56011-02-0 is also called benzyl isoamyl ether; Benzene, [(3-methylbutoxy)methyl]-; Ether, benzyl isopentyl; Isoamyl benzyl ether; NSC 9294; Isoamylbenzyl ester and so on. Its IUPAC name is 2-(3-methylbutoxy)ethylbenzene.

2. Basic Information of Isopentyl phenethyl ether

1). Properties

ACD/LogP: 4.009
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 656.03
ACD/KOC (pH 5.5): 3613.73
#H bond acceptors: 1 #H bond donors: 0
#Freely Rotating Bonds: 6
Polar Surface Area: 9.23 ?2
Index of Refraction: 1.485
Molar Refractivity: 60.67 cm³
Molar Volume: 211.524 cm³
Polarizability: 24.052 10-24cm³
Surface Tension: 31.181999206543
dyne/cm Density: 0.909 g/cm³
Flash Point: 107.255 °C Enthalpy of Vaporization: 46.665 kJ/mol
Boiling Point: 249.113 °C at 760 mmHg
Vapour Pressure: 0.0370000004768372 mmHg at 25°C

2). Descriptors of Structure
InChI: InChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,
1-2H3InChIKey: BHQBQWOZHYUVTL-UHFFFAOYSA-NCanonical SMILES : CC(C)CCOCCC1=CC=CC=C1

3). Toxicity

4) uses

Isopentyl phenethyl ether is a powerful material of spices, having pure and fresh and green sweet. It is mainly used for soap and detergent essence. It can improve the sweet of flowers and green.