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Home> Encyclopedia > Hot Product Listed 2   > 2,3-Dimethylbenzaldehyde
81147-92-4 structure

2,3-Dimethylbenzaldehyde

CAS No.:81147-92-4
EINECS(EC#): 224-832-0
Molecular Weight:331.83494
Molecular Formula:C12H18O4 (isomer)
Names and Identifiers
Synonyms

Benzaldehyde,2,3-dimethyl- Hemellitaldehyde

Inchi
InChI=1/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
Canonical Smiles
CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)OC)O.Cl
Properties
Appearance
colorless transparent liquid
Density
1.282
Melting Point
48-50℃
Vapour
3.62E-08mmHg at 25°C
Flash Point
>230°F
Storage temp
-20°C Freezer, Under Inert Atmosphere
Safety and Handling
Safety
Hazard Codes:Xi
WGK Germany:3
Hazard Note:Irritant
Specification

Clear Colorless Oil
usageEng:The major component of the umbel rays oil.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:331.83494g/mol
  • Molecular Formula:C12H18O4
  • Exact Mass:331.155036
  • Monoisotopic Mass:331.155036
  • Complexity:288
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:67.8
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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