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| CAS No.: | 70547-87-4 |
|---|---|
| Name: | 2,6-Dimethyl-4-hydroxybenzaldehyde |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C9H10O2 |
| Molecular Weight: | 150.177 |
| Synonyms: | 4-Hydroxy-2,6-dimethylbenzaldehyde; |
| EINECS: | 639-426-2 |
| Density: | 1.136 g/cm3 |
| Melting Point: | 190-196 °C |
| Boiling Point: | 283.8 °C at 760 mmHg |
| Flash Point: | 119 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 1.82150 |
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Specification
The 2,6-Dimethyl-4-hydroxybenzaldehyde, with the CAS registry number 70547-87-4, has the IUPAC name 4-hydroxy-2,6-dimethylbenzaldehyde. Its molecular formula is C9H10O2 and its molecular weight is 150.17. However, this chemical is which should be kept cool and dry. Additionally, its product categories are Aldehyde; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Chiral Chemicals .
Other characteristics of the 2,6-Dimethyl-4-hydroxybenzaldehyde can be summarised as followings: (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): 2.22; (5)ACD/BCF (pH 5.5): 33.6; (6)ACD/BCF (pH 7.4): 27.15; (7)ACD/KOC (pH 5.5): 430.3; (8)ACD/KOC (pH 7.4): 347.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 44.53 cm3; (15)Molar Volume: 132 cm3; (16)Polarizability: 17.65×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.136 g/cm3; (19)Flash Point: 119 °C; (20)Enthalpy of Vaporization: 54.37 kJ/mol; (21)Boiling Point: 283.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0018 mmHg at 25°C.
Uses of the 2,6-Dimethyl-4-hydroxybenzaldehyde: It could react with sulfuric acid dimethyl ester to obtain the 4-methoxy-2,6-dimethyl-benzaldehyde. This reaction needs the reagent of NaOH, and the solvent of H2O. The yield is %. In addition, this reaction should be taken for 2 hours at the temperature of 10 °C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1c(cc(O)cc1C)C
2.InChI: InChI=1/C9H10O2/c1-6-3-8(11)4-7(2)9(6)5-10/h3-5,11H,1-2H3
3.InChIKey: XXTRGLCPRZQPHJ-UHFFFAOYAO