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CAS No.: | 7150-01-8 |
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Name: | 2-ACETOXY-3-METHOXYBENZALDEHYDE 97 |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C10H10O4 |
Molecular Weight: | 194.187 |
Synonyms: | m-Anisaldehyde,2-hydroxy-, acetate (7CI,8CI);2-(Acetyloxy)-3-methoxybenzaldehyde;2-Acetoxy-3-methoxybenzaldehyde;2-Acetoxy-m-anisaldehyde;NSC 72363;o-Vanillin acetate;2-formyl-6-methoxyphenyl acetate;benzaldehyde, 2-(acetyloxy)-3-methoxy-; |
Density: | 1.193 g/cm3 |
Melting Point: | 74-77 °C(lit.) |
Boiling Point: | 286.6 °C at 760 mmHg |
Flash Point: | 123.9 °C |
Safety: | 22-24/25 |
PSA: | 52.60000 |
LogP: | 1.43300 |
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The Benzaldehyde,2-(acetyloxy)-3-methoxy-, with the CAS registry number 7150-01-8, has the systematic name of 2-formyl-6-methoxyphenyl acetate. And the molecular formula of the chemical is C10H10O4. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Benzaldehyde,2-(acetyloxy)-3-methoxy- are as followings: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.539; (8)Molar Refractivity: 51.02 cm3; (9)Molar Volume: 162.7 cm3; (10)Polarizability: 20.22×10-24cm3; (11)Surface Tension: 40.5 dyne/cm; (12)Density: 1.193 g/cm3; (13)Flash Point: 123.9 °C; (14)Enthalpy of Vaporization: 52.57 kJ/mol; (15)Boiling Point: 286.6 °C at 760 mmHg; (16)Vapour Pressure: 0.00261 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cccc(OC)c1OC(=O)C
(2)InChI: InChI=1/C10H10O4/c1-7(12)14-10-8(6-11)4-3-5-9(10)13-2/h3-6H,1-2H3
(3)InChIKey: XRERBLZFZMBKRU-UHFFFAOYAX