Heptanal,2-[(4-methylphenyl)methylene]- supplier

Name
2-[(4-methylphenyl)methylene]heptan-1-al
EINECS 283-718-9
CAS No. 84697-09-6
Article Data4
CAS DataBase
Density 0.955 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₀O
Boiling Point 338 °C at 760 mmHg
Molecular Weight 216.323
Flash Point 141.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinnamaldehyde,p-methyl-a-pentyl-(7CI);Cinnamaldehyde,a-amyl-p-methyl-(3CI);2-((4-Methylphenyl)methylene)heptan-1-al;
PSA
LogP

Heptanal,2-[(4-methylphenyl)methylene]- Specification

The CAS registry number of Heptanal,2-[(4-methylphenyl)methylene]- is 84697-09-6. Its EINECS registry number is 283-718-9. The systematic name is 2-((4-Methylphenyl)methylene)heptan-1-al. In addition, the molecular formula is C₁₅H₂₀O and the molecular weight is 216.32. What's more, it should be stored in a cool and dry place.

Physical properties about Heptanal,2-[(4-methylphenyl)methylene]- are: (1)ACD/LogP: 5.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.26; (4)ACD/LogD (pH 7.4): 5.26; (5)#H bond acceptors: 1; (6)#Freely Rotating Bonds: 6; (7)Polar Surface Area: 17.07 Å²; (8)Index of Refraction: 1.532; (9)Molar Refractivity: 70.16 cm³; (10)Molar Volume: 226.3 cm³; (11)Polarizability: 27.81 ×10^-24cm³; (12)Surface Tension: 35.3 dyne/cm; (13)Density: 0.955 g/cm³; (14)Flash Point: 141.4 °C; (15)Enthalpy of Vaporization: 58.13 kJ/mol; (16)Boiling Point: 338 °C at 760 mmHg; (17)Vapour Pressure: 0.000101 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(CCCCC)=Cc1ccc(C)cc1
(2)InChI: InChI=1/C15H20O/c1-3-4-5-6-15(12-16)11-14-9-7-13(2)8-10-14/h7-12H,3-6H2,1-2H3
(3)InChIKey: VHBOIZSCWFNPBM-UHFFFAOYAR

Product Name

2-[(4-methylphenyl)methylene]heptan-1-al

Heptanal,2-[(4-methylphenyl)methylene]- Specification

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