Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed P   > Poly(oxy-1,2-ethanediyl),a,a'-[1,4-dimethyl-1,4-bis(2-methylpropyl)-2-butyne-1,4-diyl]bis[w-hydroxy-
39562-16-8 structure

Poly(oxy-1,2-ethanediyl),a,a'-[1,4-dimethyl-1,4-bis(2-methylpropyl)-2-butyne-1,4-diyl]bis[w-hydroxy-

Iupac Name:ethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
CAS No.:39562-16-8
Molecular Weight:263.249
Molecular Formula:C12H12N2O4S2 (isomer)
Names and Identifiers
Synonyms

2,4,7,9-Tetramethyl-5-decyne-4,7-diol-bispolyoxyethyleneether 2,4,7,9-Tetramethyl-5-decyne-4,7-diol-ethylene oxide adduct AcetinolEH Acetylenol E Acetylenol E 100 Acetylenol E 13T Acetylenol E 40 Acetylenol EH Acetylenol EL Ethoxylated2,4,7,9-tetramethyl-5-decyne-4,7-diol Ethylene oxide polymer ether with2,4,7,9-tetramethyl-5-decyne-4,7-diol Olfine E 1010 Polyethylene glycol ether with2,4,7,9-tetramethyl-5-decyne-4,7-diol (2:1) Polyethylene glycol etherwith 1,4-diisobutyl-1,4-dimethylbutynediol S 465 Surfynol 402 Surfynol 420 Surfynol 440 Surfynol 465 Surfynol 480 Surfynol 485 Surfynol DF 1100 Surfynol E 1010 Surfynol SE-F

Inchi
InChI=1S/C13H13NO5/c1-3-19-13(16)12(9(2)15)8-10-5-4-6-11(7-10)14(17)18/h4-8H,3H2,1-2H3/b12-8+
InChkey
YOPMSDPIOQUWFE-XYOKQWHBSA-N
Canonical Smiles
CCOC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C
Properties
Boiling Point
423.8°Cat760mmHg
Refractive Index
1.574
Flash Point
°C
Safety and Handling
Safety Statements
Moderately toxic by ingestion, inhalation, and skin contact. When heated to decomposition it emits toxic vapors of NOx.
Reach Info
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:263.249g/mol
  • Molecular Formula:C12H12N2O4S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.2
  • Exact Mass:263.079
  • Monoisotopic Mass:263.079
  • Complexity:396
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:89.2A^2
  • Heavy Atom Count:19
  • 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: AAADccByOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAEAAAADAyhmAIyyIAQRACJ AqTSSwCCAAAgAgAoiAEAZMoIJDaIsZGCMABkoAAI6YcQgAAOAAAAQAAAAAAAAACAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
<