Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2-Nonanol, 5-ethyl-
30529-08-9 structure

2-Nonanol, 5-ethyl-

CAS No.:30529-08-9
Molecular Weight:335.35658
Molecular Formula:C14H21NO2 (isomer)
Names and Identifiers
Synonyms

5-Ethyl-2-nonanol NSC 15686

Inchi
InChI=1/C19H17N3O3/c23-13-12-21-18(20-14-19(21)22(24)25)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-11,14,23H,12-13H2
Canonical Smiles
C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC3=NC=C(N3CCO)[N+](=O)[O-]
Properties
Density
1.122
Boiling Point
558.3°C at 760 mmHg
Refractive Index
1.626
Flash Point
455.1°C
Safety and Handling
Safety
Mildly toxic by skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
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:335.35658g/mol
  • Molecular Formula:C14H21NO2
  • XLogP3-AA:3.9
  • Exact Mass:335.126991
  • Monoisotopic Mass:335.126991
  • Complexity:451
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:83.9
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
 
<