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Home> Encyclopedia > Hot Product Listed 2   > 2,6,10,14,18,22,26,30,34,38,42,46-Octatetracontadodecaen-1-ol,3,7,11,15,19,23,27,31,35,39,43,47-dode...
137-00-8 structure

2,6,10,14,18,22,26,30,34,38,42,46-Octatetracontadodecaen-1-ol,3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyl-, dihydrogen phosphate,diammonium salt, (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z,42Z)- (9CI)

Iupac Name:2-(4-methyl-1,3-thiazol-5-yl)ethanol
CAS No.:137-00-8
Molecular Weight:143.20676
Molecular Formula:C14H16N2 (isomer)
Names and Identifiers
Synonyms

2,6,10,14,18,22,26,30,34,38,42,46-Octatetracontadodecaen-1-ol,3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyl-, dihydrogen phosphate,diammonium salt, (all-Z)- 2,6,10,14,18,22,26,30,34,38,42,46-octatetracontadodecaen-1-ol,3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyl-,dihydrogen phosphate,diammonium salt,(2z,6z,10z,14z,18z,22z,26z,30z,34z,38z,42z)-(9ci)

Inchi
InChI=1/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
InChkey
BKAWJIRCKVUVED-UHFFFAOYSA-N
Canonical Smiles
CC1=C(SC=N1)CCO
Properties
Density
1.065
Vapour
0.00297mmHg at 25°C
Refractive Index
1.548-1.551
Flash Point
105.1°C
HS Code
29341000
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Hazard Note
H315; H319; H335
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

Computational chemical data
  • Molecular Weight:143.20676g/mol
  • Molecular Formula:C14H16N2
  • XLogP3-AA:0.8
  • Exact Mass:143.040485
  • Monoisotopic Mass:143.040485
  • Complexity:89.1
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:61.4
  • Heavy Atom Count:9
  • 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
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