CAS No.52411-35-5,5-ETHYL-2-HYDROXY-BENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52411-35-5
Name:	5-ETHYL-2-HYDROXY-BENZALDEHYDE
Article Data:	21

Formula:	C₉H₁₀O₂
Molecular Weight:	150.177
Synonyms:	Salicylaldehyde,5-ethyl- (7CI);3-Ethyl-6-hydroxybenzaldehyde;5-Ethyl-2-hydroxybenzaldehyde;5-Ethylsalicylaldehyde;
Density:	1.134 g/cm³
Boiling Point:	238.1 °C at 760 mmHg
Flash Point:	97.2 °C
Hazard Symbols:	Xi
PSA:	37.30000
LogP:	1.76710

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Specification

The Benzaldehyde,5-ethyl-2-hydroxy-, with CAS registry number 52411-35-5, has the systematic name of 5-ethyl-2-hydroxybenzaldehyde. Besides this, it is also called 5-Ethyl-2-hydroxy-benzaldehyde. And the chemical formula of this chemical is C₉H₁₀O₂.

Physical properties of Benzaldehyde,5-ethyl-2-hydroxy-: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 55.56; (6)ACD/BCF (pH 7.4): 51.65; (7)ACD/KOC (pH 5.5): 617.16; (8)ACD/KOC (pH 7.4): 573.73; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 44.43 cm³; (15)Molar Volume: 132.3 cm³; (16)Polarizability: 17.61×10^-24cm³; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.134 g/cm³; (19)Flash Point: 97.2 °C; (20)Enthalpy of Vaporization: 49.43 kJ/mol; (21)Boiling Point: 238.1 °C at 760 mmHg; (22)Vapour Pressure: 0.028 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(ccc1O)CC
(2)InChI: InChI=1/C9H10O2/c1-2-7-3-4-9(11)8(5-7)6-10/h3-6,11H,2H2,1H3
(3)InChIKey: XSTCLZHMZASDDK-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H10O2/c1-2-7-3-4-9(11)8(5-7)6-10/h3-6,11H,2H2,1H3
(5)Std. InChIKey: XSTCLZHMZASDDK-UHFFFAOYSA-N