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Home> Encyclopedia > Hot Product Listed 6   > 6(2H)-Quinoxalinone,8-(1,2,3,6,7,8-hexahydro-10-undecylpyrazino[2,3-g]quinoxalin-5-yl)-3,4-dihydro-7...
110-41-8 structure

6(2H)-Quinoxalinone,8-(1,2,3,6,7,8-hexahydro-10-undecylpyrazino[2,3-g]quinoxalin-5-yl)-3,4-dihydro-7-hydroxy-5-undecyl-

Iupac Name:2-methylundecanal
CAS No.:110-41-8
Molecular Weight:184.323
Molecular Formula:C25H31NO10 (isomer)
Names and Identifiers
Synonyms

Pyrazino[2,3-g]quinoxaline,6(2H)-quinoxalinone deriv.

Inchi
InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3
InChkey
NFAVNWJJYQAGNB-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCC(C)C=O
Properties
Density
1.32
Boiling Point
543.5°C at 760 mmHg
Vapour
0.0107mmHg at 25°C
Refractive Index
1.432
Flash Point
169.4°C
HS Code
2912190090
Safety and Handling
Safety Statements
S24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1B

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P273 Avoid release to the environment.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:184.323g/mol
  • Molecular Formula:C25H31NO10
  • Compound Is Canonicalized:True
  • Exact Mass:184.183
  • Monoisotopic Mass:184.183
  • Complexity:110
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:13
  • 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: AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCggAICAAAAAAAI AAgQgAAAAAAAAAAAAAEAAAAAABIAAAAAAAAAAAAAAAEIiMCMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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