Product Name

  • Name

    3,4,5-trimethoxyphenylacetaldehyde

  • EINECS
  • CAS No. 5320-31-0
  • Article Data18
  • CAS DataBase
  • Density 1.097 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H14O4
  • Boiling Point 313.4 °C at 760 mmHg
  • Molecular Weight 210.23
  • Flash Point 136.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 5320-31-0 (3,4,5-trimethoxyphenylacetaldehyde)
  • Hazard Symbols
  • Synonyms Acetaldehyde,(3,4,5-trimethoxyphenyl)- (6CI,7CI,8CI);3,4,5-Trimethoxyphenylacetaldehyde;(3,4,5-trimethoxyphenyl)acetaldehyde;benzeneacetaldehyde, 3,4,5-trimethoxy-;
  • PSA 44.76000
  • LogP 1.45380

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

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View