IUPAC Name: 3-propan-2-yloxybenzoic acid
Empirical Formula: C10H12O3
Molecular Weight: 180.2005
Structure of Benzoic acid,3-(1-methylethoxy)- (CAS NO.60772-67-0):
Index of Refraction: 1.528
Molar Refractivity: 49.08 cm3
Molar Volume: 159.3 cm3
Polarizability: 19.45×10-24cm3
Surface Tension: 40.9 dyne/cm
Density: 1.13 g/cm3
Flash Point: 121.9 °C
Enthalpy of Vaporization: 58.2 kJ/mol
Melting Point: 96-97°C
Boiling Point: 310.4 °C at 760 mmHg
Vapour Pressure: 0.000259 mmHg at 25°C
Synonyms of Benzoic acid,3-(1-methylethoxy)- (CAS NO.60772-67-0): 3-Isopropoxybenzoic acid ; 3-(propan-2-yloxy)benzoic acid
Canonical SMILES: CC(C)OC1=CC=CC(=C1)C(=O)O
InChI: InChI=1S/C10H12O3/c1-7(2)13-9-5-3-4-8(6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKey: QPVBLLQBUNVSJT-UHFFFAOYSA-N
Hazard Codes: Xi
Hazard Note: Irritant
HazardClass: IRRITANT
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