CAS No.5331-14-6,CRESSANTHER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5331-14-6
Name:	CRESSANTHER
Article Data:	8

Formula:	C₁₂H₁₈O
Molecular Weight:	178.274
Synonyms:	Butylphenethyl ether;NSC 2252;
EINECS:	226-226-1
Density:	0.915 g/cm³
Boiling Point:	235.2 °C at 760 mmHg
Flash Point:	97.3 °C
Appearance:	colorless and oil liquid
PSA:	9.23000
LogP:	3.04580

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Specification

This chemical is called Benzene,(2-butoxyethyl)-, and its systematic name is (2-Butoxyethyl)benzene. With the molecular formula of C₁₂H₁₈O, its molecular weight is 178.27. The CAS registry number of the chemical is 5331-14-6. Additionally, its product categories are Food additives; Eat spicy; Natural extracts spices.

Other characteristics of Benzene,(2-butoxyethyl)- can be summarised as followings: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.74; (5)ACD/BCF (pH 5.5): 406.43; (6)ACD/BCF (pH 7.4): 406.43; (7)ACD/KOC (pH 5.5): 2565.16; (8)ACD/KOC (pH 7.4): 2565.16; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 56.07 cm³; (15)Molar Volume: 194.6 cm³; (16)Polarizability: 22.23×10^-24cm³; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 0.915 g/cm³; (19)Flash Point: 97.3 °C; (20)Enthalpy of Vaporization: 45.28 kJ/mol; (21)Boiling Point: 235.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0776 mmHg at 25°C.

Production method of this chemical: The Benzene,(2-butoxyethyl)- could be obtained by the reactants of 1-Iodo-butane and 2-Phenyl-ethanol. This reaction needs the reagent of KF/alumina, and the solvent of Acetonitrile. The yield is 62 %. In addition, this reaction should be taken for 124 hours.

The Benzene,(2-butoxyethyl)- could be obtained by the reactant of 1-Iodo-butane and 2-Phenyl-ethanol

You can still convert the following datas into molecular structure:
1.SMILES: O(CCc1ccccc1)CCCC
2.InChI: InChI=1/C12H18O/c1-2-3-10-13-11-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
3.InChIKey: KLJOZKBZXLRMLU-UHFFFAOYAO
4.Std. InChI: InChI=1S/C12H18O/c1-2-3-10-13-11-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
5.Std. InChIKey: KLJOZKBZXLRMLU-UHFFFAOYSA-N