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CAS No.: 1878-85-9
Name: 2-METHOXYPHENOXYACETIC ACID
Article Data: 36
Molecular Structure:
Molecular Structure of 1878-85-9 (2-METHOXYPHENOXYACETIC ACID)
Formula: C9H10O4
Molecular Weight: 182.176
Synonyms: Aceticacid, (2-methoxyphenoxy)- (9CI);Acetic acid, (o-methoxyphenoxy)-(6CI,7CI,8CI);(2-Methoxyphenoxy)acetic acid;(o-Methoxyphenoxy)acetic acid;2-(2-Methoxyphenoxy)acetic acid;Guaiacoxyacetic acid;NSC 5165;
EINECS: 217-526-3
Density: 1.226 g/cm3
Melting Point: 123-126 °C
Boiling Point: 303 °C at 760 mmHg
Flash Point: 120.9 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 55.76000
LogP: 1.15860
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Specification

The Acetic acid,2-(2-methoxyphenoxy)-, with the CAS registry number 1878-85-9, is also known as (2-Methoxyphenoxy)acetic acid. It belongs to the product categories of Phenoxyacetic Acids and Alcohols (Substituted); C9; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 217-526-3. This chemical's molecular formula is C9H10O4 and molecular weight is 182.17. What's more, its IUPAC name is 2-(2-Methoxyphenoxy)acetic acid. Additionally, it should be preserved hermetically and put in a cool and dry place.

Physical properties about Acetic acid,2-(2-methoxyphenoxy)-: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.11; (4)ACD/LogD (pH 7.4): -2.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 45.8 cm3; (15)Molar Volume: 148.5 cm3; (16)Surface Tension: 43.7 dyne/cm; (17)Density: 1.226 g/cm3; (18)Flash Point: 120.9 °C; (19)Enthalpy of Vaporization: 57.36 kJ/mol; (20)Boiling Point: 303 °C at 760 mmHg; (21)Vapour Pressure: 0.000423 mmHg at 25 °C; (22)Melting point: 123-126 °C.

Preparation of Acetic acid,2-(2-methoxyphenoxy)-: this chemical is prepared by the reaction of 2-Methoxy-phenol with Chloroacetic acid. The reaction occurs with reagent Sodium hydride and solvent Dimethylformamide at ambient temperature for 5 days. The yield is 76 %.

Acetic acid,2-(2-methoxyphenoxy)- is prepared by the reaction of 2-Methoxy-phenol with Chloroacetic acid

Uses of Acetic acid,2-(2-methoxyphenoxy)-: it is used to produce other chemicals. For example, it can react with Aniline to get (2-Methoxy-phenoxy)-acetic acid anilide. The reaction occurs with reagents Pentafluorophenol and Dicyclohexylcarbodiimide and solvent Ethyl acetate. The yield is 80 %.

Acetic acid,2-(2-methoxyphenoxy)- can react with Aniline to get (2-Methoxy-phenoxy)-acetic acid anilide

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)COc1ccccc1OC
(2) InChI: InChI=1/C9H10O4/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
(3) InChIKey: IHONYPFTXGQWAX-UHFFFAOYAM

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 386mg/kg (386mg/kg)   Travaux de la Societe de Pharmacie de Montpellier. Vol. 34, Pg. 121, 1974.