Benzaldehyde,4-(3-methylbutoxy)- supplier

Name
4-(3-METHYL-BUTOXY)-BENZALDEHYDE
EINECS
CAS No. 18986-09-9
Article Data6
CAS DataBase
Density 1.003 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O₂
Boiling Point 297.2 °C at 760 mmHg
Molecular Weight 192.258
Flash Point 124.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzaldehyde,p-(isopentyloxy)- (6CI,8CI);4-(3-Methylbutoxy)benzaldehyde;NSC 69106;p-(Isopentyloxy)benzaldehyde;
PSA 26.30000
LogP 2.92400

Benzaldehyde,4-(3-methylbutoxy)- Specification

The Benzaldehyde,4-(3-methylbutoxy)-, with the CAS registry number 18986-09-9, is also known as Benzaldehyde,p-(isopentyloxy)- (6CI,8CI) and p-(Isopentyloxy)benzaldehyde. This chemical's molecular formula is C₁₂H₁₆O₂ and molecular weight is 192.2542. What's more, both its IUPAC name and systematic name are the same which is called 4-(3-Methylbutoxy)benzaldehyde.

Physical properties about Benzaldehyde,4-(3-methylbutoxy)- are: (1) ACD/LogP: 3.64; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 2; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 5; (6) Polar Surface Area: 26.3 Å²; (7) Index of Refraction: 1.519; (8) Molar Refractivity: 58.17 cm³; (9) Molar Volume: 191.5 cm³; (10) Polarizability: 23.06×10^-24 cm³; (11) Surface Tension: 34.9 dyne/cm; (12) Density: 1.003 g/cm³; (13) Flash Point: 124.5 °C; (14) Enthalpy of Vaporization: 53.7 kJ/mol; (15) Boiling Point: 297.2 °C at 760 mmHg; (16) Vapour Pressure: 0.00137 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(OCCC(C)C)cc1
(2) InChI: InChI=1/C12H16O2/c1-10(2)7-8-14-12-5-3-11(9-13)4-6-12/h3-6,9-10H,7-8H2,1-2H3
(3) InChIKey: WWBHAIFPHGGVCW-UHFFFAOYAF

Product Name

4-(3-METHYL-BUTOXY)-BENZALDEHYDE

Benzaldehyde,4-(3-methylbutoxy)- Specification

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