Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Isopropoxybenzaldehyde |
EINECS | N/A |
CAS No. | 75792-33-5 | Density | 1.036 g/cm3 |
PSA | 26.30000 | LogP | 2.28630 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H12O2 | Boiling Point | 256.8 °C at 760 mmHg |
Molecular Weight | 164.204 | Flash Point | 107.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Isopropoxybenzaldehyde; Benzaldehyde, 3-(1-methylethoxy)- |
Article Data | 21 |
The 3-Isopropoxybenzaldehyde is an organic compound with the formula C10H12O2. The systematic name of this chemical is 3-(propan-2-yloxy)benzaldehyde. With the CAS registry number 75792-33-5, it is also named as Benzaldehyde, 3-(1-methylethoxy)-. In addition, the molecular weight is 164.2.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.529; (8)Molar Refractivity: 48.9 cm3; (9)Molar Volume: 158.4 cm3; (10)Polarizability: 19.38×10-24 cm3; (11)Surface Tension: 35.1 dyne/cm; (12)Density: 1.036 g/cm3; (13)Flash Point: 107.5 °C; (14)Enthalpy of Vaporization: 49.43 kJ/mol; (15)Boiling Point: 256.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0151 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:O=Cc1cc(OC(C)C)ccc1
2. InChI:InChI=1/C10H12O2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-8H,1-2H3
3. InChIKey:NOBKCEXLDDGYID-UHFFFAOYAC
4. Std. InChI:InChI=1S/C10H12O2/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-8H,1-2H3
5. Std. InChIKey:NOBKCEXLDDGYID-UHFFFAOYSA-N