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Benzeneacetaldehyde,3,4,5-trimethoxy-

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Name

Benzeneacetaldehyde,3,4,5-trimethoxy-

EINECS N/A
CAS No. 5320-31-0 Density 1.097 g/cm3
PSA 44.76000 LogP 1.45380
Solubility N/A Melting Point N/A
Formula C11H14O4 Boiling Point 313.4 °C at 760 mmHg
Molecular Weight 210.23 Flash Point 136.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5320-31-0 (3,4,5-trimethoxyphenylacetaldehyde) Hazard Symbols N/A
Synonyms

Acetaldehyde,(3,4,5-trimethoxyphenyl)- (6CI,7CI,8CI);3,4,5-Trimethoxyphenylacetaldehyde;(3,4,5-trimethoxyphenyl)acetaldehyde;benzeneacetaldehyde, 3,4,5-trimethoxy-;

Article Data 18

Benzeneacetaldehyde,3,4,5-trimethoxy- Specification

The Benzeneacetaldehyde,3,4,5-trimethoxy-, with the CAS registry number 5320-31-0, has the systematic name of (3,4,5-trimethoxyphenyl)acetaldehyde. It belongs to the product category of Benzene series. And the molecular formula of this chemical is C11H14O4. In addition, it is an intermediate metabolite of mescaline.

The physical properties of Benzeneacetaldehyde,3,4,5-trimethoxy- are as following: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 4.96; (6)ACD/BCF (pH 7.4): 4.96; (7)ACD/KOC (pH 5.5): 109.55; (8)ACD/KOC (pH 7.4): 109.55; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 56.02 cm3; (15)Molar Volume: 191.5 cm3; (16)Polarizability: 22.2×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.097 g/cm3; (19)Flash Point: 136.6 °C; (20)Enthalpy of Vaporization: 55.45 kJ/mol; (21)Boiling Point: 313.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000497 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCc1cc(OC)c(OC)c(OC)c1
(2)InChI: InChI=1/C11H14O4/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h5-7H,4H2,1-3H3
(3)InChIKey: PDZYOCOHQGFKLC-UHFFFAOYAJ

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