Methyl 3,4-dihydroxyphenylacetate supplier

Name
3,4-DIHYDROXYPHENYLACETIC ACID METHYL ESTER
EINECS
CAS No. 25379-88-8
Article Data37
CAS DataBase
Density 1.309 g/cm³
Solubility
Melting Point 36ºC
Formula C₉H₁₀O₄
Boiling Point 335 °C at 760 mmHg
Molecular Weight 182.176
Flash Point 136.2 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (3,4-dihydroxyphenyl)-, methyl ester (8CI);Methyl3,4-dihydroxyphenylacetate;
PSA 66.76000
LogP 0.81330

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

Product Name

3,4-DIHYDROXYPHENYLACETIC ACID METHYL ESTER

Methyl 3,4-dihydroxyphenylacetate Specification

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