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Home> Hot Product Listed S   > STOCK7S-05376
16736-42-8 structure

STOCK7S-05376

Iupac Name:(2E)-3,7-dimethylocta-2,6-dien-1-ol
CAS No.:16736-42-8
Molecular Weight:154.253
Molecular Formula:C24H36N4O2 (isomer)
Names and Identifiers
Synonyms

1-methyl-4-{3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyrazole 6-(1-methyl-1h-pyrazol-4-yl)-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole AKOS005755751 BG00621892 MCULE-2920594398 MOLPORT-009-650-293 STL155785 ZINC49545323

Inchi
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+
InChkey
GLZPCOQZEFWAFX-JXMROGBWSA-N
Canonical Smiles
CC(=CCCC(=CCO)C)C
Isomers Smiles
CC(=CCC/C(=C/CO)/C)C
Properties
Melting Point
-15 °C
Vapour
~0.2 mm Hg ( 20 °C)
Refractive Index
1.475-1.479
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36-24/25
Hazard Note
H315; H317; H318
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2016
LES DERIVES RESINIQUES ET TERPENIQUES 2013
REACH24H CONSULTING GROUP 2013
more >
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:154.253g/mol
  • Molecular Formula:C24H36N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:154.136
  • Monoisotopic Mass:154.136
  • Complexity:150
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADACggAICAAAAAgCA AiBCAAAAAAAgAAAACAAAAAgAFAIAAQAAEAAAgAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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