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Home> Hot Product Listed S   > Streptococcusdiacetilactis, culture distillate flavoring
518-18-3 structure

Streptococcusdiacetilactis, culture distillate flavoring

CAS No.:518-18-3
Molecular Weight:303.35778
Molecular Formula:C6H18SI2 (isomer)
Names and Identifiers
Synonyms

Einecs 283-738-8 Flavoringmaterials, butter, Streptococcus diacetilactis distillate Streptococcus diacetilactis, culture distillate flavoring

Inchi
InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3
InChkey
TXDUTHBFYKGSAH-UHFFFAOYSA-N
Canonical Smiles
CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Properties
Density
g/cm3
Melting Point
272°C(lit.)
Flash Point
252°C
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:303.35778g/mol
  • Molecular Formula:C6H18SI2
  • Compound Is Canonicalized:True
  • Exact Mass:303.137
  • Monoisotopic Mass:303.137
  • Complexity:495
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:39.3A^2
  • Heavy Atom Count:23
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFix9AAAHgAQAAAADAjBngQzwPPJkACo AyVyVACCgCAlAiAImSE4ZNiIYPrA1ZGUIYholwLIyecYiMCOgAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:+86-571-85378921
  • Fax:
  • Tel:+86-(713)-5773199
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  • Fax:+86-(713)-5774389
 
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