3-[4-(Benzyloxy)phenyl]propionic acid supplier

Name
3-[4-(Benzyloxy)phenyl]propionic acid
EINECS
CAS No. 50463-48-4
Article Data34
CAS DataBase
Density 1.175 g/cm³
Solubility
Melting Point 116-118℃
Formula C₁₆H₁₆O₃
Boiling Point 429.3 °C at 760 mmHg
Molecular Weight 256.301
Flash Point 159.4 °C
Transport Information
Appearance
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-[4-(benzyloxy)phenyl]propanoic acid (IM OCS);3-[4-(benzyloxy)phenyl]propanoic acid;
PSA 46.53000
LogP 3.28280

3-[4-(Benzyloxy)phenyl]propionic acid Specification

The CAS register number of 3-[4-(Benzyloxy)phenyl]propionic acid is 50463-48-4. The molecular formula about this chemical is C₁₆H₁₆O₃and the molecular weight is 256.2964.

Physical properties about 3-[4-(Benzyloxy)phenyl]propionic acid are: (1)ACD/LogP: 3.41; (2)ACD/LogD (pH 5.5): 2.56; (3)ACD/LogD (pH 7.4): 0.76; (4)ACD/BCF (pH 5.5): 32.29; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 239.61; (7)ACD/KOC (pH 7.4): 3.8; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 73.16 cm³; (14)Molar Volume: 218 cm³; (15)Polarizability: 29x10^-24cm³; (16)Surface Tension: 48 dyne/cm; (17)Density: 1.175 g/cm³; (18)Flash Point: 159.4 °C; (19)Enthalpy of Vaporization: 72.17 kJ/mol; (20)Boiling Point: 429.3 °C at 760 mmHg; (21)Vapour Pressure: 3.91E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCc2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18)
(3)InChIKey: QTSAUVQZNADEKS-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C16H16O3/c17-16(18)11-8-13-6-9-15(10-7-13)19-12-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2,(H,17,18)
(5)Std. InChIKey: QTSAUVQZNADEKS-UHFFFAOYSA-N

Product Name

3-[4-(Benzyloxy)phenyl]propionic acid

3-[4-(Benzyloxy)phenyl]propionic acid Specification

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