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Home> Encyclopedia > Hot Product Listed D   > Dodecanedioic acid,1,12-dimethyl ester
1731-79-9 structure

Dodecanedioic acid,1,12-dimethyl ester

Iupac Name:dimethyl dodecanedioate
CAS No.:1731-79-9
EINECS(EC#): 217-050-6
Molecular Weight:258.358
Molecular Formula:C14H26O4 (isomer)
Properties
Appearance
white semi-solid
Density
187
Melting Point
30-32ºC
Boiling Point
158℃
Vapour
0.00109mmHg at 25°C
Refractive Index
1.441
Flash Point
135 ºC
Solubility
Appearance:white semi-solid
Transport Information:200kgs
Safety:24/25
HS Code
2917190090
Safety and Handling
Safety Statements
S24/25
Safety

Safety Statements: 24/25 
R24: Toxic in contact with skin.
R25: Toxic if swallowed.

Transport
200kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

NMR Spectrum
Precursor and Product
Computational chemical data
  • Molecular Weight:258.358g/mol
  • Molecular Formula:C14H26O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.1
  • Exact Mass:258.183
  • Monoisotopic Mass:258.183
  • Complexity:202
  • Rotatable Bond Count:13
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAICCAAABAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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