2-Ethyl-2-adamantanol

HCID 4401951CAS 14648-57-8

Substructure search Find similar structures

Basic information

Standard SMILES: CCC1(O)C2CC3CC(C2)CC1C3
InChIKey: YUBKBLFRGDNIDR-UHFFFAOYSA-N
Molecular formula: C12H20O
Average molar mass: 180.29 g/mol
Monoisotopic mass: 180.15141526

Names & identifiers

Preferred name: 2-Ethyl-2-adamantanol
IUPAC: 2-ethyladamantan-2-ol
English name: 2-Ethyl-2-adamantanol
Molecular formula: C12H20O
Molecular weight: 180.29

Names & synonyms

2-Ethyl-2-adamantanol14648-57-8DTXSID50402878RefChem:260475DTXCID30353733YUBKBLFRGDNIDR-UHFFFAOYSA-N2-ethyladamantan-2-olTricyclo[3.3.1.13,7]decan-2-ol, 2-ethyl-MFCD018375532-Ethyl-2-hydroxyadamantaneSCHEMBL549021AKOS015838606

Show more names

2-Ethyl-2-adamantane2-Ethyl-2-adamantano2-ETHYL-ADAMANTAN-2-OL2-Ethyl-2-adamantanol >2-Ethyl-2-adamantanol ,99%2-Ethyl-2-adamantanol 14648-57-82-Ethyl-2-hydroxyadamantane 95+%2-Ethyl-2-adamantanol 99.9% In stock

CS-W017184DS-7809AC-16095AC-24310SY052807E0659A808514SCHEMBL15922930

Database identifiers

CAS: 14648-57-8
PubChem CID: 4401951
DTXSID: DTXSID50402878
Nikkaji: J1.092.961J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 70 °C · 70 °C
Boiling point: 265.5 · 265.5±8.0 °C(Predicted)
Density: 1.045 · 1.045±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystaline
pka: 14.99 · 14.99±0.20(Predicted)
color: White to Almost white
InChI: InChI=1S/C12H20O/c1-2-12(13)10-4-8-3-9(6-10)7-11(12)5-8/h8-11,13H,2-7H2,1H3
InChIKey: YUBKBLFRGDNIDR-UHFFFAOYSA-N
SMILES: C12CC3CC(CC(C3)C1(CC)O)C2
CAS DataBase Reference: 14648 · 14648-57-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
Safety Statements: 24 · 24/25
HS Code: 29061990 · 29061990

Safety & regulation

Safety data

hs_code: 29061990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c