4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
Bezeichnung:4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
CAS-Nr22029-76-1
Englisch Name:BETA-IONOL
CBNumberCB0239646
SummenformelC13H22O
Molgewicht194.31
MOL-Datei22029-76-1.mol
Synonyma
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol physikalisch-chemischer Eigenschaften
| Siedepunkt | 107 °C3 mm Hg(lit.) |
| Dichte | 0.928 g/mL at 20 °C(lit.) |
| FEMA | 3625 | BETA-IONOL |
| Brechungsindex | n |
| Flammpunkt | 93.4 °C |
| Aggregatzustand | liquid |
| pka | 14.68±0.20(Predicted) |
| Geruch (Odor) | at 100.00 %. sweet herbal floral violet tropical balsam woody |
| Geruchsart | floral |
| JECFA Number | 392 |
| BRN | 1866761 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+ |
| InChIKey | CNOPDZWOYFOHGN-BQYQJAHWSA-N |
| SMILES | CC(O)\C=C\C1=C(C)CCCC1(C)C |
| LogP | 4.33 |
| EPA chemische Informationen | 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (22029-76-1) |
| S-Sätze: | 23-24/25 |
| WGK Germany | 2 |
| RTECS-Nr. | EM9630000 |
| F | 10-23 |
| TSCA | TSCA listed |
| Speicherklasse | 10 - Combustible liquids |
| Toxizität | rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 26, Pg. 361, 1988. |
