Benzaldehyde,4-butoxy-3-methoxy- supplier

Name
4-BUTOXY-3-METHOXY-BENZALDEHYDE
EINECS
CAS No. 51301-87-2
Article Data14
CAS DataBase
Density 1.048 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆O₃
Boiling Point 319.9 °C at 760 mmHg
Molecular Weight 208.257
Flash Point 138.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Methoxy-4-(n-butyloxy)benzaldehyde;3-Methoxy-4-butoxybenzaldehyde;4-Butoxy-3-methoxybenzaldehyde;O-Butylvanillin;
PSA 35.53000
LogP 2.68660

Benzaldehyde,4-butoxy-3-methoxy- Specification

The Benzaldehyde,4-butoxy-3-methoxy-, with the CAS registry number 51301-87-2, is also known as Otava-bb bb7119845870. This chemical's molecular formula is C₁₂H₁₆O₃ and molecular weight is 208.25. What's more, both its IUPAC name and systematic name are the same which is called 4-butoxy-3-methoxybenzaldehyde.When you are dealing with this chemical, you should be very careful. This Chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzaldehyde,4-butoxy-3-methoxy- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 160.92; (6)ACD/BCF (pH 7.4): 160.92; (7)ACD/KOC (pH 5.5): 1321.62; (8)ACD/KOC (pH 7.4): 1321.62; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12) Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 60.26 cm³; (15)Molar Volume: 198.6 cm³; (16)Polarizability: 23.88×10^-24cm³; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 1.048 g/cm³; (19)Flash Point: 138.3 °C; (20)Enthalpy of Vaporization: 56.15 kJ/mol; (21)Boiling Point: 319.9 °C at 760 mmHg ; (22)Vapour Pressure: 0.00033 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(OC)c(OCCCC)cc1
(2)InChI: InChI=1/C12H16O3/c1-3-4-7-15-11-6-5-10(9-13)8-12(11)14-2/h5-6,8-9H,3-4,7H2,1-2H3
(3)InChIKey: VDQRSBASPLRAOM-UHFFFAOYAQ

Product Name

4-BUTOXY-3-METHOXY-BENZALDEHYDE

Benzaldehyde,4-butoxy-3-methoxy- Specification

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