3-ALLYLSALICYLALDEHYDE

The 3-Allyl-2-hydroxybenzaldehyde with cas registry number of 24019-66-7 is light yellow liquid. Its systematic name is called 2-hydroxy-3-(prop-2-en-1-yl)benzaldehyde. And its IUPAC name is called 2-hydroxy-3-prop-2-enylbenzaldehyde. This chemical belongs to the categories: Aromatic Aldehydes & Derivatives (substituted); pharmacetical; aldehydes; Aromatics; C10 to C21; Carbonyl Compounds.

The physical properties about this chemical are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 58.17; (6)ACD/BCF (pH 7.4): 53.93; (7)ACD/KOC (pH 5.5): 637.8; (8)ACD/KOC (pH 7.4): 591.23; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 48.79 cm³; (14)Molar Volume: 143.9 cm³; (15)Surface Tension: 44.9 dyne/cm; (16)Density: 1.126 g/cm³; (17)Flash Point: 99.7 °C; (18)Enthalpy of Vaporization: 49.97 kJ/mol; (19)Boiling Point: 243.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0208 mmHg at 25°C; (21)Refractive index: n20/D 1.5645.

Preparation of 3-Allyl-2-hydroxybenzaldehyde: this chemical can be made by 2-allyloxy-benzaldehyde on the condition of heating with 83% yield.

Uses of 3-Allyl-2-hydroxybenzaldehyde: it can react with propan-2-one to produce 4-(3-allyl-2-hydroxy-phenyl)-but-3-en-2-one with reagent NaOH and solvent H₂O for 3 days at ambient temperature. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
During using this chemcial, wear suitable protective clothing and gloves for it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccc(c1O)C/C=C;
(2)InChI: InChI=1/C10H10O2/c1-2-4-8-5-3-6-9(7-11)10(8)12/h2-3,5-7,12H,1,4H2;
(3)InChIKey: INLWEXRRMUMHKB-UHFFFAOYAG