(4-tert-Butylphenyl)acetaldehyde supplier

Name
2-(4-TERT-BUTYLPHENYL)ACETALDEHYDE
EINECS
CAS No. 109347-45-7
Article Data19
CAS DataBase
Density 0.946 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O
Boiling Point 257.8 °C at 760 mmHg
Molecular Weight 176.258
Flash Point 115.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-tert-Butylphenyl)acetaldehyde;(p-tert-Butylphenyl)acetaldehyde;
PSA 17.07000
LogP 2.72550

(4-tert-Butylphenyl)acetaldehyde Specification

The (4-tert-Butylphenyl)acetaldehyde, with the CAS registry number 109347-45-7, is also known as Benzeneethanal, 4-[1,1-dimethylethyl]-. This chemical's molecular formula is C₁₂H₁₆O and molecular weight is 176.25484. Its systematic name is called (4-tert-butylphenyl)acetaldehyde.

Physical properties of (4-tert-Butylphenyl)acetaldehyde: (1)ACD/LogP: 3.47; (2)ACD/LogD (pH 5.5): 3.47; (3)ACD/LogD (pH 7.4): 3.47; (4)ACD/BCF (pH 5.5): 254.21; (5)ACD/BCF (pH 7.4): 254.21; (6)ACD/KOC (pH 5.5): 1833.32; (7)ACD/KOC (pH 7.4): 1833.32; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.495; (11)Molar Refractivity: 54.37 cm³; (12)Molar Volume: 186.2 cm³; (13)Surface Tension: 31.3 dyne/cm; (14)Density: 0.946 g/cm³; (15)Flash Point: 115.6 °C; (16)Enthalpy of Vaporization: 49.54 kJ/mol; (17)Boiling Point: 257.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0142 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCc1ccc(cc1)C(C)(C)C
(2)InChI: InChI=1/C12H16O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,9H,8H2,1-3H3
(3)InChIKey: VMLYBYNXKMHLIJ-UHFFFAOYAN

Product Name

2-(4-TERT-BUTYLPHENYL)ACETALDEHYDE

(4-tert-Butylphenyl)acetaldehyde Specification

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