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Home> Encyclopedia > Hot Product Listed 2   > 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel-
35621-29-5 structure

2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel-

CAS No.:35621-29-5
EINECS(EC#): 609-162-2
Molecular Weight:218.259
Molecular Formula:C43H58O14 (isomer)
Names and Identifiers
Synonyms

2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol 2H-1-Benzopyran-6-ol,3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-, [2R*(4R*,8R*)]- 5,8-Dimethyltocol 6-Chromanol, 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)- (8CI) b-Tocopherol Cumotocopherol dl-b-Tocopherol Neotocopherol p-Xylotocopherol

Inchi
InChI=1S/C15H10N2/c1-2-4-11-10(3-1)5-6-13-15(11)12-7-8-16-9-14(12)17-13/h1-9,17H
InChkey
PNFZZPIJXMDJON-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=CC3=C2C4=C(N3)C=NC=C4
Properties
Density
1.278
Refractive Index
1.839
Flash Point
81.1ºC
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:218.259g/mol
  • Molecular Formula:C43H58O14
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.4
  • Exact Mass:218.084
  • Monoisotopic Mass:218.084
  • Complexity:291
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Heavy Atom Count:17
  • 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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