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2,3-Dimethyl-4-methoxybenzaldehyde

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Name

2,3-Dimethyl-4-methoxybenzaldehyde

EINECS 254-241-3
CAS No. 38998-17-3 Density 1.042 g/cm3
PSA 26.30000 LogP 2.12450
Solubility N/A Melting Point 52-55 °C(lit.)
Formula C10H12O2 Boiling Point 280.629 °C at 760 mmHg
Molecular Weight 164.204 Flash Point 124.796 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 38998-17-3 (2,3-DIMETHYLANISALDEHYDE) Hazard Symbols N/A
Synonyms

p-Anisaldehyde,2,3-dimethyl- (6CI);2,3-Dimethyl-p-anisaldehyde;4-Methoxy-2,3-dimethylbenzaldehyde;

Article Data 5

2,3-Dimethyl-4-methoxybenzaldehyde Specification

The 2,3-Dimethyl-4-methoxybenzaldehyde, with the CAS registry number 38998-17-3, has the IUPAC name of 4-methoxy-2,3-dimethylbenzaldehyde. product categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Aldehydes; C10 to C21; Carbonyl Compounds. 

The physical properties of this chemical are as follows: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.73; (6)ACD/BCF (pH 7.4): 57.73; (7)ACD/KOC (pH 5.5): 634.47; (8)ACD/KOC (pH 7.4): 634.47; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 49.33 cm3; (15)Molar Volume: 157.6 cm3; (16)Polarizability: 19.55 ×10-24 cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.041 g/cm3; (19)Flash Point: 124.8 °C; (20)Enthalpy of Vaporization: 51.94 kJ/mol; (21)Boiling Point: 280.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00374 mmHg at 25°C; (23)Exact Mass: 164.08373; (24)MonoIsotopic Mass: 164.08373; (25)Topological Polar Surface Area: 26.3; (26)Heavy Atom Count: 12; (27)Complexity: 156.

Use of this chemical: 2,3-Dimethyl-4-methoxybenzaldehyde could react to produce 1-dichloromethyl-4-methoxy-2,3-dimethyl-benzene. This reaction could happen in the presence of the reagent of PCl5, and the solvent of CCl4.

When you are dealing with this chemical, you should be very cautious. Remember to avoid contacting with skin and eyes and then do not breathe dust.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1C)OC)C=O
(2)InChI: InChI=1S/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H3
(3)InChIKey: MAFDJCNDRCNZFM-UHFFFAOYSA-N 

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