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CAS No.: | 93-25-4 |
---|---|
Name: | 2-Methoxyphenylacetic acid |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | Aceticacid, (o-methoxyphenyl)- (6CI,7CI,8CI);(o-Methoxyphenyl)acetic acid;2-Methoxybenzeneacetic acid;NSC 110708;NSC 16257;o-Anisylacetic acid; |
EINECS: | 202-231-4 |
Density: | 1.179 g/cm3 |
Melting Point: | 88-90 °C(lit.) |
Boiling Point: | 291.3 °C at 760 mmHg |
Flash Point: | 117.1 °C |
Solubility: | Soluble in water |
Appearance: | white to slightly pink-cream crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-24/25 |
PSA: | 46.53000 |
LogP: | 1.32230 |
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Molecule structure of 2-Methoxyphenylacetic acid (CAS NO.93-25-4):
IUPAC Name: 2-(2-Methoxyphenyl)acetic acid
Molecular Weight: 166.1739 g/mol
Molecular Formula: C9H10O3
Density: 1.179 g/cm3
Melting Point: 88-90 °C(lit.)
Boiling Point: 291.3 °C at 760 mmHg
Flash Point: 117.1 °C
Index of Refraction: 1.537
Molar Refractivity: 44.04 cm3
Molar Volume: 140.8 cm3
Polarizability: 17.46×10-24 cm3
Surface Tension: 43.7 dyne/cm
Enthalpy of Vaporization: 56.05 kJ/mol
Vapour Pressure: 0.000903 mmHg at 25 °C
Storage Temp.: store at RT.
Water Solubility: soluble
XLogP3: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 166.062994
MonoIsotopic Mass: 166.062994
Topological Polar Surface Area: 46.5
Heavy Atom Count: 12
Complexity: 156
Canonical SMILES: COC1=CC=CC=C1CC(=O)O
InChI: InChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey: IVEWTCACRDEAOB-UHFFFAOYSA-N
EINECS: 202-231-4
Product Categories: Aromatic Phenylacetic Acids and Derivatives; C9; Carbonyl Compounds; Carboxylic Acids
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29189090
2-Methoxyphenylacetic acid (CAS NO.93-25-4) is also named as (o-Methoxyphenyl)acetic acid ; NSC 110708 ; Acetic acid, (o-methoxyphenyl)- (8CI) ; Benzeneacetic acid, 2-methoxy- . 2-Methoxyphenylacetic acid (CAS NO.93-25-4) is white to slightly pink-cream crystalline powder.