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Cas Database |
| Name |
4-Formylphenoxyacetic acid |
EINECS | 244-749-3 |
| CAS No. | 22042-71-3 | Density | 1.322 g/cm3 |
| PSA | 63.60000 | LogP | 0.96250 |
| Solubility | N/A | Melting Point |
193-196 °C |
| Formula | C9H8 O4 | Boiling Point | 373.2 °C at 760 mmHg |
| Molecular Weight | 180.16 | Flash Point | 155.3 °C |
| Transport Information | N/A | Appearance | BEIGE CRYSTALLINE POWDER |
| Safety | 26-36 | Risk Codes | R22;R36/37/38 |
| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
Aceticacid, (4-formylphenoxy)- (9CI); Acetic acid, (p-formylphenoxy)- (6CI,7CI,8CI);(4-Formylphenoxy)acetic acid; (p-Formylphenoxy)acetic acid;2-(4-Formylphenoxy)acetic acid; 4-(Carboxymethoxy)benzaldehyde;4-(Carboxymethyloxy)benzaldehyde |
Article Data | 37 |
4-Formylphenoxyacetic acid Chemical Properties
Molecular Structure of 4-Formylphenoxyacetic acid (CAS No.22042-71-3):
Molecular Formula: C9H8O4
Molecular Weight: 180.16
CAS No: 22042-71-3
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.588
Molar Refractivity: 45.88 cm3
Molar Volume: 136.2 cm3
Surface Tension: 54.7 dyne/cm
Density: 1.322 g/cm3
Flash Point: 155.3 °C
Enthalpy of Vaporization: 65.46 kJ/mol
Boiling Point: 373.2 °C at 760 mmHg
Vapour Pressure: 3.12E-06 mmHg at 25°C
IUPAC Name: 2-(4-Formylphenoxy)acetic acid
Canonical SMILES: C1=CC(=CC=C1C=O)OCC(=O)O
InChI: InChI=1S/C9H8O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
InChIKey: OYNIIKHNXNPSAG-UHFFFAOYSA-N
Product Categories: Active Pharmaceutical Ingredients;Saquinavir
4-Formylphenoxyacetic acid Safety Profile
Hazardous Substances Data: 127779-20-8
4-Formylphenoxyacetic acid Specification
4-Formylphenoxyacetic acid (CAS No.22042-71-3), it also can be called (p-Formylphenoxy)acetic acid .
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