Benzaldehyde,4-hydroxy-3,5-dimethyl- (2233-18-3)

The 3,5-Dimethyl-4-hydroxybenzaldehyde, with the CAS registry number 2233-18-3, has the IUPAC name of 4-hydroxy-3,5-dimethylbenzaldehyde. For being a kind of tan to light brown crystalline powder, it is sensitive to air, and its product categories are including Alcohols and Derivatives; Carbonyl Compounds; Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het; Benzaldehyde; API intermediates; Phenyls & Phenyl-Het.

The characteristics of this chemical are as below: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.28; (5)ACD/BCF (pH 5.5): 33.66; (6)ACD/BCF (pH 7.4): 31.14; (7)ACD/KOC (pH 5.5): 431.16; (8)ACD/KOC (pH 7.4): 398.78; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 44.53 cm³; (15)Molar Volume: 132 cm³; (16)Polarizability: 17.65×10^-24 cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.136 g/cm³; (19)Flash Point: 109.7 °C; (20)Enthalpy of Vaporization: 52.2 kJ/mol; (21)Boiling Point: 263.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00612 mmHg at 25°C; (23)Exact Mass: 150.06808; (24)MonoIsotopic Mass: 150.06808; (25)Topological Polar Surface Area: 37.3; (26)Heavy Atom Count: 11; (27)Complexity: 133; (28)Covalently-Bonded Unit Count: 1.

Production method of this chemical: 2,4,6-trimethyl-phenol could react to produce 3,5-Dimethyl-4-hydroxybenzaldehyde. This reaction could happen in the presence the reagent of ethyl nitrite and alcohol.

When you are dealing with this chemical, you should be cautious. This chemical is irritating to eyes, respiratory system and skin and may may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: CC1=CC(=CC(=C1O)C)C=O
(2)InChI: InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3
(3)InChIKey: UYGBSRJODQHNLQ-UHFFFAOYSA-N