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Methyl 3,4-dihydroxyphenylacetate

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Name

Methyl 3,4-dihydroxyphenylacetate

EINECS N/A
CAS No. 25379-88-8 Density 1.309 g/cm3
PSA 66.76000 LogP 0.81330
Solubility N/A Melting Point 36ºC
Formula C9H10O4 Boiling Point 335 °C at 760 mmHg
Molecular Weight 182.176 Flash Point 136.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 25379-88-8 (3,4-DIHYDROXYPHENYLACETIC ACID METHYL ESTER) Hazard Symbols N/A
Synonyms

Aceticacid, (3,4-dihydroxyphenyl)-, methyl ester (8CI);Methyl3,4-dihydroxyphenylacetate;

Article Data 37

Methyl 3,4-dihydroxyphenylacetate Specification

The Methyl 3,4-dihydroxyphenylacetate, with the cas registry number 25379-88-8, is also called 3,4-dihydroxyphenylacetic acid methyl ester. It belongs to the category of Aromatic Esters.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.77; (6)ACD/BCF (pH 7.4): 1.74; (7)ACD/KOC (pH 5.5): 52.28; (8)ACD/KOC (pH 7.4): 51.54; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 45.97 cm3; (15)Molar Volume: 139 cm3; (16)Polarizability: 18.22×10-24cm3; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.309 g/cm3; (19)Flash Point: 136.2 °C; (20)Enthalpy of Vaporization: 60.09 kJ/mol; (21)Boiling Point: 335 °C at 760 mmHg; (22)Vapour Pressure: 6.34E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause irritating to the skin, eyes, or rispiratory system. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1ccc(CC(=O)OC)cc1O
(2)InChI: InChI=1/C9H10O4/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4,10-11H,5H2,1H3
(3)InChIKey: UGFILLIGHGZLHE-UHFFFAOYAO

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