Cyclohexanepropanal, b,4-dimethyl- supplier

Name
beta,4-dimethylcyclohexanepropionaldehyde
EINECS 275-066-9
CAS No. 70964-95-3
Density 0.874 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀O
Boiling Point 235.6 °C at 760 mmHg
Molecular Weight 168.279
Flash Point 94.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Menthane-9-carboxaldehyde(6CI);
PSA 17.07000
LogP 3.03780

Cyclohexanepropanal, b,4-dimethyl- Specification

The Cyclohexanepropanal, b,4-dimethyl-, with the CAS registry number 70964-95-3, is also known as p-Menthane-9-carboxaldehyde(6CI). Its EINECS registry number is 275-066-9. This chemical's molecular formula is C₁₁H₂₀O and molecular weight is 168.2759. What's more, both its IUPAC name and systematic name are the same which is called 3-(4-Methylcyclohexyl)butanal.

Physical properties about Cyclohexanepropanal, b,4-dimethyl- are: (1) ACD/LogP: 3.81; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.81; (4) ACD/LogD (pH 7.4): 3.81; (5) ACD/BCF (pH 5.5): 459.21; (6) ACD/BCF (pH 7.4): 459.21; (7) ACD/KOC (pH 5.5): 2799.42; (8) ACD/KOC (pH 7.4): 2799.42; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 17.07 Å²; (13) Index of Refraction: 1.443; (14) Molar Refractivity: 51.06 cm³; (15) Molar Volume: 192.3 cm³; (16) Polarizability: 20.24×10^-24 cm³; (17) Surface Tension: 28.3 dyne/cm; (18) Density: 0.874 g/cm³; (19) Flash Point: 94.4 °C; (20) Enthalpy of Vaporization: 47.24 kJ/mol; (21) Boiling Point: 235.6 °C at 760 mmHg; (22) Vapour Pressure: 0.0497 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(CC=O)C1CCC(C)CC1
(2) InChI: InChI=1/C11H20O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h8-11H,3-7H2,1-2H3
(3) InChIKey: YZFPDESEFZSBIN-UHFFFAOYAR

Product Name

beta,4-dimethylcyclohexanepropionaldehyde

Cyclohexanepropanal, b,4-dimethyl- Specification

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