Basic information
- CAS
59182-38-6- Standard SMILES
OCC12CC3CC(CC(C3)C1O)C2- InChIKey
PUFOBDWCLXCAPH-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- 1-(Hydroxymethyl)adamantan-2-ol
- IUPAC
- 1-(hydroxymethyl)adamantan-2-ol
Names & synonyms
1-(hydroxymethyl)adamantan-2-ol59182-38-6RefChem:427865976-352-21-Hydroxymethyladamantan-2-olSCHEMBL14859538PUFOBDWCLXCAPH-UHFFFAOYSA-NJCA182381-(Hydroxymethyl)-2-adamantanol #AT22498EN300-244262
Database identifiers
- CAS
59182-38-6- PubChem CID
- 596248
- EC Number
- 976-352-2
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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