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698-27-1

Basic Information
CAS No.: 698-27-1
Name: 2-HYDROXY-4-METHYLBENZALDEHYDE
Article Data: 58
Molecular Structure:
Molecular Structure of 698-27-1 (2-HYDROXY-4-METHYLBENZALDEHYDE)
Formula: C8H8O2
Molecular Weight: 136.15
Synonyms: 2,4-Cresotaldehyde(6CI,7CI,8CI);2-Formyl-5-methylphenol;2-Hydroxy-4-methylbenzaldehyde;4-Methyl-2-hydroxybenzaldehyde;4-Methylsalicylaldehyde;m-Homosalicylaldehyde;
EINECS: 211-813-7
Density: 1.175 g/cm3
Melting Point: 58-61 °C(lit.)
Boiling Point: 219.5 °C at 760 mmHg
Flash Point: 88 °C
Solubility: Soluble in oil, slightly soluble in water.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 37.30000
LogP: 1.51310
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    2-Hydroxy-4-Methylbenzaldehyde

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  • 2-hydroxy-4-methylbenzaldehyde

  • Casno:

    698-27-1

    2-hydroxy-4-methylbenzaldehyde

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  • 2-HYDROXY-4-METHYLBENZALDEHYDE

  • Casno:

    698-27-1

    2-HYDROXY-4-METHYLBENZALDEHYDE

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  • 2-Hydroxy-4-methylbenzaldehyde

  • Casno:

    698-27-1

    2-Hydroxy-4-methylbenzaldehyde

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    Best Seller, High Quality, Competitive Price, Fast Delivery, Quick ResponseAppearance:powder, or liquid Storage:Stored in room temperature, ventilated place Package:Bottle, barrel, cargo, container, etc. Application:Pharmaceuticals, intermediates, AP

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  • 2-Hydroxy-4-methylbenzaldehyde

  • Casno:

    698-27-1

    2-Hydroxy-4-methylbenzaldehyde

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    FOB Price:  USD $ 0.0-0.0

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Specification

The 2-Hydroxy-4-methylbenzaldehyde with cas registry number of 698-27-1 belongs to following categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Alphabetical Listings; Flavors and Fragrances; G-H. Both its systematic name and IUPAC name are the same which is called 2-hydroxy-4-methylbenzaldehyde. This chemical has the EINECS registry number which is called 211-813-7.

The physical properties about this chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 21.91; (6)ACD/BCF (pH 7.4): 19.41; (7)ACD/KOC (pH 5.5): 316.99; (8)ACD/KOC (pH 7.4): 280.76; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.601 ; (13) Molar Refractivity: 39.71 cm3; (14)Molar Volume: 115.8 cm3; (15)Surface Tension: 48.1 dyne/cm; (16)Density: 1.175 g/cm3; (17)Flash Point: 88 °C; (18)Enthalpy of Vaporization: 47.44 kJ/mol; (19)Boiling Point: 219.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0807 mmHg at 25°C.

Preparation of 2-Hydroxy-4-methylbenzaldehyde: it can be made by the reaction of 3-methyl-phenol and formaldehyde. 2-hydroxy-6-methyl-benzaldehyde is also produced. This reaction needs reagents MgCl2, Et3N and solvent acetonitrile under condition of heating. It will last 4 hours with 12% yield.

Uses of 2-Hydroxy-4-methylbenzaldehyde: it can react with 1-bromo-3,7-dimethyl-octane to produce 2-(3,7-dimethyl-octyloxy)-4-methyl-benzaldehyde by using reagents KOH, K2CO3, KI and solvent 1,2-dimethoxy-ethane for 1 day. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
This chemical belongs to TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. You'd better wear suitable protective clothing 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=Cc1ccc(cc1O)C;
(2)InChI: InChI=1/C8H8O2/c1-6-2-3-7(5-9)8(10)4-6/h2-5,10H,1H3;
(3)InChIKey: JODRRPJMQDFCBJ-UHFFFAOYAN