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946779-35-7

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Basic Information
CAS No.: 946779-35-7
Name: 3-ethoxy-4-(3-methoxypropoxy)benzaldehyde
Molecular Structure:
Molecular Structure of 946779-35-7 (3-ethoxy-4-(3-methoxypropoxy)benzaldehyde)
Formula: C13H18O4
Molecular Weight: 238.27962
Synonyms: 3-ethoxy-4-(3-methoxypropoxy)benzaldehyde;
Density: 1.076 g/cm3
Boiling Point: 356.027 °C at 760 mmHg
Flash Point: 156.191 °C
PSA: 44.76000
LogP: 2.31310
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Specification

The Benzaldehyde, 3-ethoxy-4-(3-methoxypropoxy)- is an organic compound with the formula C13H18O4. With the CAS registry number 946779-35-7, the systematic name of this chemical is 3-ethoxy-4-(3-methoxypropoxy)benzaldehyde.

Physical properties about Benzaldehyde, 3-ethoxy-4-(3-methoxypropoxy)- are: (1)ACD/LogP: 1.99; (2)ACD/LogD (pH 5.5): 1.993; (3)ACD/LogD (pH 7.4): 1.993; (4)ACD/BCF (pH 5.5): 19.246; (5)ACD/BCF (pH 7.4): 19.246; (6)ACD/KOC (pH 5.5): 289.037; (7)ACD/KOC (pH 7.4): 289.037; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 44.76 Å2; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 66.639 cm3; (13)Molar Volume: 221.493 cm3; (14)Polarizability: 26.418×10-24cm3; (15)Surface Tension: 36.515 dyne/cm; (16)Density: 1.076 g/cm3; (17)Flash Point: 156.191 °C; (18)Enthalpy of Vaporization: 60.124 kJ/mol; (19)Boiling Point: 356.027 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1cc(ccc1OCCCOC)C=O
(2)InChI: InChI=1/C13H18O4/c1-3-16-13-9-11(10-14)5-6-12(13)17-8-4-7-15-2/h5-6,9-10H,3-4,7-8H2,1-2H3
(3)InChIKey: XVNOHSGIIVXJLP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H18O4/c1-3-16-13-9-11(10-14)5-6-12(13)17-8-4-7-15-2/h5-6,9-10H,3-4,7-8H2,1-2H3
(5)Std. InChIKey: XVNOHSGIIVXJLP-UHFFFAOYSA-N