3-Isopropoxybenzaldehyde supplier

Name
3-ISOPROPOXY-BENZALDEHYDE
EINECS
CAS No. 75792-33-5
Article Data21
CAS DataBase
Density 1.036 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂O₂
Boiling Point 256.8 °C at 760 mmHg
Molecular Weight 164.204
Flash Point 107.5 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Isopropoxybenzaldehyde; Benzaldehyde, 3-(1-methylethoxy)-
PSA 26.30000
LogP 2.28630

3-Isopropoxybenzaldehyde Specification

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

Product Name

3-ISOPROPOXY-BENZALDEHYDE

3-Isopropoxybenzaldehyde Specification

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