Tricyclo[3.3.1.13,7]decan-2-ol

ADAMANTAN-2-OL · 2-HYDROXYADAMANTANE · 2-AD-OH · 2-ADA-OH · adamantol-2 · AKOS BC-0652 · 2-ADAMANTANOL · 2-adamanthanol

Identifikatoren & physikalische Daten

CAS No.	700-57-2
Summenformel	C10H16O
Durchschnittliche Molmasse	152,23 g/mol
Monoisotopische Masse	152,12011513 g/mol
SMILES	OC1C2CC3CC(C2)CC1C3
InChIKey	FOWDOWQYRZXQDP-UHFFFAOYSA-N
PubChem CID	64149
ChEMBL	CHEMBL1269176
EC No.	211-846-7
DTXSID	DTXSID00220266
Lokaler Name	Tricyclo[3.3.1.13,7]decan-2-ol

XLogP	1,9
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	148
SpringerMaterials Properties	Chemical shift
Schmelzpunkt	258-262 °C (lit.)
Siedepunkt	214.73°C (rough estimate)
Dichte	0.8544 (rough estimate)
Brechungsindex	1.4880 (estimate)
Lagerbedingungen	Store below +30°C.
Löslichkeit	soluble in MethanolINSOLUBLE
pKa (Säurekonstante)	14.93±0.20(Predicted)
Aggregatzustand	Crystalline Powder
Farbe	White to off-white
BRN	1903957
InChI	InChI=1S/C10H16O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2
InChIKey	FOWDOWQYRZXQDP-UHFFFAOYSA-N
SMILES	C12CC3CC(CC(C3)C1O)C2
CAS Datenbank	700-57-2(CAS DataBase Reference)
NIST chemische Informationen	Adamantan-2-ol(700-57-2)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Tricyclo3.3.1.13,7decan-2-ol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (50%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29061900
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	22-24/25-36-26-25-24
Gefahrenklasse	IRRITANT
Lagerklasse	11 - Combustible Solids

The low-temperature X-ray structure of 2-adamantanol ester has been studied.2-Adamantanol was used to synthesize ester imides.