Benzaldehyde,3-(1,1-dimethylethyl)- supplier

Name
3-tert-Butylbenzaldehyde
EINECS
CAS No. 23039-28-3
Article Data6
CAS DataBase
Density 0.967 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O
Boiling Point 228.022 °C at 760 mmHg
Molecular Weight 162.232
Flash Point 91.961 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-tert-Butylbenzaldehyde;Benzaldehyde,m-tert-butyl- (6CI,7CI,8CI);3-(1,1-Dimethylethyl)benzaldehyde;m-tert-Butylbenzaldehyde;
PSA 17.07000
LogP 2.79660

Benzaldehyde,3-(1,1-dimethylethyl)- Specification

The Benzaldehyde,3-(1,1-dimethylethyl)- is an organic compound with the formula C₁₁H₁₄O. Its CAS registry number is 23039-28-3. The IUPAC name of this chemical is 3-tert-Butylbenzaldehyde. In addition, the molecular weight is 162.23.

Physical properties about Benzaldehyde,3-(1,1-dimethylethyl)- are: (1)ACD/LogP: 3.28; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 182; (6)ACD/BCF (pH 7.4): 182; (7)ACD/KOC (pH 5.5): 1444; (8)ACD/KOC (pH 7.4): 1444; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 51.393 cm³; (15)Molar Volume: 167.787 cm³; (16)Polarizability: 20.374×10^-24 cm³; (17)Surface Tension: 32.42 dyne/cm; (18)Density: 0.967 g/cm³; (19)Flash Point: 91.961 °C; (20)Enthalpy of Vaporization: 46.46 kJ/mol; (21)Boiling Point: 228.022 °C at 760 mmHg; (22)Vapour Pressure: 0.075 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)c1cccc(c1)C=O
(2) InChI: InChI=1/C11H14O/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-8H,1-3H3
(3) InChIKey: HKEQMVXZDQLSDY-UHFFFAOYAU

Product Name

3-tert-Butylbenzaldehyde

Benzaldehyde,3-(1,1-dimethylethyl)- Specification

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