3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
Bezeichnung:3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
CAS-Nr148-03-8
Englisch Name:β-Tocopherol
CBNumberCB5822456
SummenformelC28H48O2
Molgewicht416.68
MOL-Datei148-03-8.mol
Synonyma
3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol physikalisch-chemischer Eigenschaften
| Schmelzpunkt | <25℃ |
| Siedepunkt | 474.94°C (rough estimate) |
| Dichte | 0.9882 (rough estimate) |
| Brechungsindex | 1.4480 (estimate) |
| Flammpunkt | -23 °C |
| storage temp. | 2-8°C |
| Löslichkeit | Chloroform (Sparingly), Ethanol (Slightly), Ethyl Acetate (Slightly), Methanol ( |
| Aggregatzustand | Oil |
| pka | 11.05±0.40(Predicted) |
| Farbe | Colourless to Yellow |
| InChI | InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/s3 |
| InChIKey | WGVKWNUPNGFDFJ-UHFFFAOYSA-N |
| SMILES | [C@@]1(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC2=C(C)C=C(O)C(C)=C2CC1 |&1:0,5,10,r| |
| LogP | 10.724 (est) |
| EPA chemische Informationen | 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel- (148-03-8) |
| Kennzeichnung gefährlicher | F,Xn,N |
| R-Sätze: | 11-38-48/20-51/53-62-67-65 |
| S-Sätze: | 36/37-61-62-16 |
| RIDADR | UN1208 3/PG 2 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| Speicherklasse | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |
