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Home> Encyclopedia > Hot Product Listed 5   > 5,9-Dodecadien-2-one,6,10-dimethyl-
1989-33-9 structure

5,9-Dodecadien-2-one,6,10-dimethyl-

Iupac Name:9H-fluorene-9-carboxylic acid
CAS No.:1989-33-9
EINECS(EC#): 264-914-3
Molecular Weight:210.232
Molecular Formula:C15H24BR2N5O12P3 (isomer)
Names and Identifiers
Synonyms

6,10-Dimethyl-5,9-dodecadien-2-one 6,10-Dimethyldodeca-5,9-diene-2-one ETHYL GERANYL ACETONE

Inchi
InChI=1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)
InChkey
DNVJGJUGFFYUPT-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(=O)O
Properties
Melting Point
227-232℃
Vapour
0.000192mmHg at 25°C
Flash Point
192.9°C
HS Code
29163900
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S22;S24/25
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:210.232g/mol
  • Molecular Formula:C15H24BR2N5O12P3
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.5
  • Exact Mass:210.068
  • Monoisotopic Mass:210.068
  • Complexity:265
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:16
  • 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: AAADccBwMAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAGgAACAAADQCAmAAwCIAAAgCI AiDSCAACAAAgAAAIiAEAAIgIIDKAFRCAYAAkwAEIiAeIyPCOgAAAAAAQAAAAAAAAACAAAQAACAAA AA==
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