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| CAS No.: | 83816-53-9 |
|---|---|
| Name: | 2-Hydroxy-3-propyl-benzaldehyde |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C10H12O2 |
| Molecular Weight: | 164.204 |
| Synonyms: | 2-Hydroxy-3-propylbenzaldehyde |
| Density: | 1.103 g/cm3 |
| Boiling Point: | 243.103 °C at 760 mmHg |
| Flash Point: | 99.633 °C |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 37.30000 |
| LogP: | 2.15720 |
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- Total:11 Page 1 of 1 1
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Specification
The 3-Propylsalicylaldehyde, with CAS registry number 83816-53-9, has the systematic name of 2-hydroxy-3-propylbenzaldehyde. Its molecular weight is 164.2. And the chemical formula of this chemical is C10H12O2.
Physical properties of 3-Propylsalicylaldehyde: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 141; (6)ACD/BCF (pH 7.4): 127; (7)ACD/KOC (pH 5.5): 1200; (8)ACD/KOC (pH 7.4): 1081; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 49.069 cm3; (15)Molar Volume: 148.853 cm3; (16)Polarizability: 19.453×10-24cm3; (17)Surface Tension: 44.162 dyne/cm; (18)Density: 1.103 g/cm3; (19)Flash Point: 99.633 °C; (20)Enthalpy of Vaporization: 49.956 kJ/mol; (21)Boiling Point: 243.103 °C at 760 mmHg; (22)Vapour Pressure: 0.021 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccc(c1O)CCC
(2)InChI: InChI=1/C10H12O2/c1-2-4-8-5-3-6-9(7-11)10(8)12/h3,5-7,12H,2,4H2,1H3
(3)InChIKey: BXHJYWXFFYWVIB-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H12O2/c1-2-4-8-5-3-6-9(7-11)10(8)12/h3,5-7,12H,2,4H2,1H3
(5)Std. InChIKey: BXHJYWXFFYWVIB-UHFFFAOYSA-N