3-Ethylbenzaldehyde supplier | CasNO.34246-54-3

Name
3-Ethylbenzaldehyde
EINECS 251-896-7
CAS No. 34246-54-3
Article Data8
CAS DataBase
Density 1.001 g/cm³
Solubility
Melting Point
Formula C₉H₁₀O
Boiling Point 214.3 °C at 760 mmHg
Molecular Weight 134.178
Flash Point 86.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzaldehyde,m-ethyl- (6CI,7CI,8CI);3-Ethylbenzaldehyde;m-Ethylbenzaldehyde;
PSA 17.07000
LogP 2.06150

3-Ethylbenzaldehyde Specification

The 3-Ethylbenzaldehyde, with the CAS registry number 34246-54-3 and EINECS registry number 251-896-7, is also called m-ethylbenzaldehyde. It belongs to the product category of Benzaldehyde. And the molecular formula of the chemical is C₉H₁₀O.

The characteristics of 3-Ethylbenzaldehyde are as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.86; (6)ACD/BCF (pH 7.4): 58.86; (7)ACD/KOC (pH 5.5): 643.39; (8)ACD/KOC (pH 7.4): 643.39; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 42.55 cm³; (15)Molar Volume: 133.9 cm³; (16)Polarizability: 16.87×10^-24cm³; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.001 g/cm³; (19)Flash Point: 86.6 °C; (20)Enthalpy of Vaporization: 45.06 kJ/mol; (21)Boiling Point: 214.3 °C at 760 mmHg; (22)Vapour Pressure: 0.157 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cc(ccc1)CC
(2)InChI: InChI=1/C9H10O/c1-2-8-4-3-5-9(6-8)7-10/h3-7H,2H2,1H3
(3)InChIKey: LLYXUFQXCNIGDG-UHFFFAOYAA

Product Name

3-Ethylbenzaldehyde

3-Ethylbenzaldehyde Specification

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