Tricyclo[3.3.1.13,7]decan-1-carbonsure
Bezeichnung:Tricyclo[3.3.1.13,7]decan-1-carbonsure
CAS-Nr828-51-3
Englisch Name:1-Adamantanecarboxylic acid
CBNumberCB3145173
SummenformelC11H16O2
Molgewicht180.24
MOL-Datei828-51-3.mol
Synonyma
Tricyclo[3.3.1.13,7]decan-1-carbonsure
Tricyclo[3.3.1.13,7]decan-1-carbonsure physikalisch-chemischer Eigenschaften
Schmelzpunkt | 172-174 °C (lit.) |
Siedepunkt | 253.08°C (rough estimate) |
Dichte | 0.9976 (rough estimate) |
Brechungsindex | 1.4910 (estimate) |
storage temp. | Sealed in dry,Room Temperature |
Löslichkeit | Chloroform, Methanol (Slightly) |
Aggregatzustand | Crystalline Powder |
pka | 4.86±0.20(Predicted) |
Farbe | White to off-white |
Wasserlöslichkeit | Insoluble in water. Solubility in methanol gives very faint turbidity. Soluble in ethanol, chloroform, and dichloromethane. |
BRN | 1910637 |
InChI | InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13) |
InChIKey | JIMXXGFJRDUSRO-UHFFFAOYSA-N |
SMILES | C12(C(O)=O)CC3CC(CC(C3)C1)C2 |
CAS Datenbank | 828-51-3(CAS DataBase Reference) |
NIST chemische Informationen | Adamantane-1-carboxylic acid(828-51-3) |
Kennzeichnung gefährlicher | Xi |
R-Sätze: | 36/37/38 |
S-Sätze: | 22-24/25-36-26 |
WGK Germany | 3 |
RTECS-Nr. | AU4452200 |
Hazard Note | Irritant |
HS Code | 29162000 |