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2-Hydroxy-5-methylisophthalaldehyde

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Name

2-Hydroxy-5-methylisophthalaldehyde

EINECS 230-768-4
CAS No. 7310-95-4 Density 1.287 g/cm3
PSA 54.37000 LogP 1.32560
Solubility N/A Melting Point 128-130 °C(lit.)
Formula C9H8O3 Boiling Point 237.4 °C at 760 mmHg
Molecular Weight 164.161 Flash Point 111.6 °C
Transport Information N/A Appearance light yellow to beige cryst. powder or needles
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 7310-95-4 (2-HYDROXY-5-METHYLISOPHTHALALDEHYDE) Hazard Symbols IrritantXi
Synonyms

Isophthalaldehyde,2-hydroxy-5-methyl- (6CI,7CI,8CI);2,6-Diformyl-4-methylphenol;2,6-Diformyl-p-cresol;2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde;2-Hydroxy-5-methyl-1,3-benzenedicarboxyaldehyde;2-Hydroxy-5-methylbenzene-1,3-dicarbaldehyde;2-Hydroxy-5-methylisophthalaldehyde;2-Hydroxy-5-methylisophthaldehyde;3-Formyl-5-methylsalicylaldehyde;4-Methyl-2,6-diformylphenol;5-Methyl-2-hydroxyisophthalaldehyde;NSC 243727;

Article Data 55

2-Hydroxy-5-methylisophthalaldehyde Specification

This chemical is called 1,3-Benzenedicarboxaldehyde, 2-hydroxy-5-methyl-, and its IUPAC name is 2-hydroxy-5-methylbenzene-1,3-dicarbaldehyde. With the CAS registry number of 7310-95-4, its product categories are Aromatic Aldehydes & Derivatives(substituted); Aldehydes; C9; Carbonyl Compounds. Additionally, this chemical is light yellow to beige cryst. powder or needles.

Other characteristics of the 1,3-Benzenedicarboxaldehyde, 2-hydroxy-5-methyl- can be summarised as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 41.94; (6)ACD/BCF (pH 7.4): 7.37; (7)ACD/KOC (pH 5.5): 496; (8)ACD/KOC (pH 7.4): 87.12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 46.46 cm3; (15)Molar Volume: 127.4 cm3; (16)Polarizability: 18.42×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.287 g/cm3; (19)Flash Point: 111.6 °C; (20)Enthalpy of Vaporization: 49.34 kJ/mol; (21)Boiling Point: 237.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0293 mmHg at 25°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 when you use it. In case of contacting 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=Cc1cc(cc(C=O)c1O)C
2.InChI: InChI=1/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3
3.InChIKey: ZBOUXALQDLLARY-UHFFFAOYAT

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