(1s,4r,6s)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
Basic information
- CAS
60761-00-4- Standard SMILES
CC1(C)O[C@@]2(C)CC[C@@H]1C[C@@H]2O- InChIKey
YVCUGZBVCHODNB-WEDXCCLWSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Overview
See also: 2-Endo-Hydroxy-1,8-Cineole (annotation moved to).
Names & identifiers
- Preferred name
- (1s,4r,6s)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
- IUPAC
- (1S,4R,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
- English name
- (1alpha,4alpha,6alpha)-(±)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
(1s,4r,6s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol60761-00-42|A-Hydroxy-1,8-cineoleEINECS 262-408-72alpha-Hydroxy-1,8-cineoleorb1683767DTXSID60976232(1alpha,4alpha,6alpha)-( inverted exclamation markA)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-olHY-N1729TN2760(1alpha,4alpha,6alpha)-(1)-1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-olAKOS032962348
Show more names
8-cineoleNSC 3413662-Hydroxy-12-Hydroxy-1,8-cineole2-alpha-Hydroxy-1,8-cineole(1α,4α,6α)-(±)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-ol2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-, (1R,4S,6R)-rel-(1Alpha,4alpha,6alpha)-(±)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
CS-0017406NS00127057(1s,2s,4r)-1,8-epoxy-2-hydroxy-p-menthan
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 238.747 · 238.747±8.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.037 · 1.037±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- form
- Oil
- pka
- 14.551 · 14.551±0.60(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Description2-endo-Hydroxy-1,8-cineole shows antimicrobial and bactericidal activities against against test bacteria (Staphylococcus aureus, Escherichia coli, and Pseudomonas fluorescens) .
Uses2α-Hydroxy-1,8-cineole is a metabolite of 1,8-cineole (HY-N0066)[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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