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Home> Encyclopedia > Hot Product Listed O   > Oxirane,2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pentyl]-2-methyl-
57342-02-6 structure

Oxirane,2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pentyl]-2-methyl-

Iupac Name:2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pentyl]-2-methyloxirane
CAS No.:57342-02-6
EINECS(EC#): 260-685-9
Molecular Weight:304.474
Molecular Formula:C20H32O2 (isomer)
Names and Identifiers
Synonyms

2-ethyl-3-(3-ethyl-5-(4-ethylphenoxy)pentyl)-2-methyloxirane 2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pentyl]-2-methyloxirane 6,7-epoxy-1-(p-ethylphenoxy)-3-ethyl-7-methylnonane 6,7-epoxy-3-ethyl-1-(4-ethylphenoxy)-7-methylnonane AC1L27GV ACR 2019 AK395977 AKOS027381686 c-55880 CTK8J4085 DTXSID7041912 einecs 260-685-9 epofenonane epofenonane [iso] FT-0709425 oxirane, 2-ethyl-3-(3-ethyl-5-(4-ethylphenoxy)pentyl)-2-methyl- oxirane, 2-ethyl-3-[3-ethyl-5-(4-ethylphenoxy)pentyl]-2-methyl- Ro 10-3108 Ro 10-3108/018 SCHEMBL44253 YHDXOFFTMOZZPE-UHFFFAOYSA-N

Inchi
InChI=1S/C20H32O2/c1-5-16-8-11-18(12-9-16)21-15-14-17(6-2)10-13-19-20(4,7-3)22-19/h8-9,11-12,17,19H,5-7,10,13-15H2,1-4H3
InChkey
YHDXOFFTMOZZPE-UHFFFAOYSA-N
Canonical Smiles
CCC1=CC=C(C=C1)OCCC(CC)CCC2C(O2)(C)CC
Properties
Density
0.945
Boiling Point
392°Cat760mmHg
Refractive Index
1.489
Flash Point
130.2°C
Storage temp
2-8°C
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:304.474g/mol
  • Molecular Formula:C20H32O2
  • Compound Is Canonicalized:True
  • Exact Mass:304.24
  • Monoisotopic Mass:304.24
  • Complexity:309
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:21.8A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:3
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAEgAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADVSgmAIyBoAABACA AiBCAAACCAAgIAAIiAAGCIgMJiKEMRqCOCCkwBEIqAeAwPAOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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