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Name |
Benzaldehyde, 4-methoxy-3-(3-methoxypropoxy)- |
EINECS | N/A |
CAS No. | 172900-75-3 | Density | 1.093 g/cm3 |
PSA | 44.76000 | LogP | 1.92300 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H16O4 | Boiling Point | 341.9 °C at 760 mmHg |
Molecular Weight | 224.257 | Flash Point | 150.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Methoxy-3-(3-methoxypropoxy)benzaldehyde;4-methoxy-3-(3-methoxypropoxy)benzaldehyde; |
Article Data | 14 |
The Benzaldehyde, 4-methoxy-3-(3-methoxypropoxy)-, with the CAS registry number 172900-75-3, has the systematic name of 4-methoxy-3-(3-methoxypropoxy)benzaldehyde. It belongs to the product category of Drug Intermediates. And the molecular formula of the chemical is C12H16O4.
The characteristics of Benzaldehyde, 4-methoxy-3-(3-methoxypropoxy)- are as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.48; (6)ACD/BCF (pH 7.4): 10.48; (7)ACD/KOC (pH 5.5): 187.08; (8)ACD/KOC (pH 7.4): 187.08; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 62 cm3; (15)Molar Volume: 204.9 cm3; (16)Polarizability: 24.58×10-24cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.093 g/cm3; (19)Flash Point: 150.2 °C; (20)Enthalpy of Vaporization: 58.56 kJ/mol; (21)Boiling Point: 341.9 °C at 760 mmHg; (22)Vapour Pressure: 7.8E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cc(OCCCOC)c(OC)cc1
(2)InChI: InChI=1/C12H16O4/c1-14-6-3-7-16-12-8-10(9-13)4-5-11(12)15-2/h4-5,8-9H,3,6-7H2,1-2H3
(3)InChIKey: RBSXHAWCVPPVNP-UHFFFAOYAP