-
Name
Acetic acid, 2-(4-hydroxy-2-methylphenoxy)-, methyl ester
- EINECS
- CAS No. 317319-10-1
- Article Data15
- CAS DataBase
- Density 1.191 g/cm3
- Solubility
- Melting Point
- Formula C10H12O4
- Boiling Point 319.4 °C at 760 mmHg
- Molecular Weight 196.203
- Flash Point 124.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Aceticacid, (4-hydroxy-2-methylphenoxy)-, methyl ester (9CI);(4-Hydroxy-2-methylphenoxy)acetic acid methyl ester;Methyl(4-hydroxy-2-methylphenoxy)-acetate;Methyl2-(4-hydroxy-2-methylphenoxy)acetate;
- PSA 55.76000
- LogP 1.25240
Methyl 2-(4-hydroxy-2-methylphenoxy)acetate Specification
The Acetic acid,2-(4-hydroxy-2-methylphenoxy)-, methyl ester, with the CAS registry number 317319-10-1, is also known as Aceticacid, (4-hydroxy-2-methylphenoxy)-, methyl ester (9CI). This chemical's molecular formula is C10H12O4 and molecular weight is 196.1999. Its systematic name is called methyl (4-hydroxy-2-methylphenoxy)acetate.
Physical properties of Acetic acid,2-(4-hydroxy-2-methylphenoxy)-, methyl ester: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.04; (3)ACD/LogD (pH 7.4): 1.04; (4)ACD/BCF (pH 5.5): 3.66; (5)ACD/BCF (pH 7.4): 3.66; (6)ACD/KOC (pH 5.5): 88.18; (7)ACD/KOC (pH 7.4): 88.04; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 50.67 cm3; (13)Molar Volume: 164.6 cm3; (14)Surface Tension: 42.7 dyne/cm; (15)Density: 1.191 g/cm3; (16)Flash Point: 124.5 °C; (17)Enthalpy of Vaporization: 58.33 kJ/mol; (18)Boiling Point: 319.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000182 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)COc1ccc(O)cc1C
(2)InChI: InChI=1/C10H12O4/c1-7-5-8(11)3-4-9(7)14-6-10(12)13-2/h3-5,11H,6H2,1-2H3
(3)InChIKey: MKWKLYFKRYJIKT-UHFFFAOYAO
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