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Cas Database |
| Name |
4-Butoxyphenylacetic acid |
EINECS | 224-904-1 |
| CAS No. | 4547-57-3 | Density | 1.093±0.06 g/cm3(Predicted) |
| PSA | 46.53000 | LogP | 2.49260 |
| Solubility | N/A | Melting Point |
80-85oC |
| Formula | C12H16O3 | Boiling Point | 345°C at 760 mmHg |
| Molecular Weight | 208.257 | Flash Point | 130.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 1105534 | Risk Codes | R36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
Benzeneacetic acid, 4-butoxy-;2-(4-butoxyphenyl)acetic acid;4-(n-Butoxy)phenylacetic acid; |
Article Data | 11 |
4-Butoxyphenylacetic acid Chemical Properties
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IUPAC Name: 2-(4-Butoxyphenyl)acetic acid
Canonical SMILES: CCCCOC1=CC=C(C=C1)CC(=O)O
InChI: InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChIKey: KLJMYYFCWBVKEE-UHFFFAOYSA-N
Molecular Weight: 208.25364 [g/mol]
Molecular Formula: C12H16O3
XLogP3: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 3
EINECS: 224-904-1
Product Categories: Aromatic Phenylacetic Acids and Derivatives
Index of Refraction: 1.52
Molar Refractivity: 57.94 cm3
Molar Volume: 190.3 cm3
Surface Tension: 40.9 dyne/cm
Density: 1.093 g/cm3
Flash Point: 130.1 °C
Enthalpy of Vaporization: 62.17 kJ/mol
Boiling Point: 345 °C at 760 mmHg
Vapour Pressure: 2.41E-05 mmHg at 25 °C
Melting Point: 80-85 °C
Classification Code of 4-Butoxyphenylacetic acid (CAS NO.4547-57-3): Drug / Therapeutic Agent
4-Butoxyphenylacetic acid Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2gm/kg (2000mg/kg) | Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 32, 1970. |
4-Butoxyphenylacetic acid Safety Profile
Hazard Codes: 
Xi,
Xn
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 2
RTECS of 4-Butoxyphenylacetic acid (CAS NO.4547-57-3): AF6945000
4-Butoxyphenylacetic acid Specification
4-Butoxyphenylacetic acid (CAS NO.4547-57-3), its Synonyms are (p-Butoxyphenyl)acetic acid ; 4-Butoxybenzeneacetic acid ; 4-n-Butoxyphenylacetic acid ; Acetic acid, (p-butoxyphenyl)- ; Benzeneacetic acid, 4-butoxy- (9CI) .
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