Benzoicacid, 4-butoxy-3-methoxy- supplier

Name
4-BUTOXY-3-METHOXY-BENZOIC ACID
EINECS
CAS No. 3535-34-0
Article Data3
CAS DataBase
Density 1.124 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O₄
Boiling Point 344.2 °C at 760 mmHg
Molecular Weight 224.257
Flash Point 128 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Butoxy-3-methoxybenzoic acid;4-Butoxy-3-methoxy-benzoic acid;
PSA 55.76000
LogP 2.57230

Benzoicacid, 4-butoxy-3-methoxy- Specification

The Benzoicacid, 4-butoxy-3-methoxy-, with the CAS registry number 3535-34-0, is also known as 4-Butoxy-3-methoxy-benzoic acid. This chemical's molecular formula is C₁₂H₁₆O₄ and molecular weight is 224.25. What's more, its systematic name is 4-Butoxy-3-methoxybenzoic acid.

Physical properties of Benzoicacid, 4-butoxy-3-methoxy- are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 21.42; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 145.64; (8)ACD/KOC (pH 7.4): 3.45; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 60.43 cm³; (15)Molar Volume: 199.4 cm³; (16)Polarizability: 23.95×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.124 g/cm³; (19)Flash Point: 128 °C; (20)Enthalpy of Vaporization: 62.07 kJ/mol; (21)Boiling Point: 344.2 °C at 760 mmHg; (22)Vapour Pressure: 2.56E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC1=C(C=C(C=C1)C(=O)O)OC
(2)InChI: InChI=1S/C12H16O4/c1-3-4-7-16-10-6-5-9(12(13)14)8-11(10)15-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
(3)InChIKey: WCFJMRPLUAGPTG-UHFFFAOYSA-N

Product Name

4-BUTOXY-3-METHOXY-BENZOIC ACID

Benzoicacid, 4-butoxy-3-methoxy- Specification

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