Basic information
- CAS
16725-71-6- Standard SMILES
CC1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2- InChIKey
DTGKSKDOIYIVQL-OYNCUSHFSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
(+)-isoborneol is a borneol.
Names & identifiers
- Preferred name
- (+)-Isoborneol
- IUPAC
- (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
- English name
- (1S,4β)-1α,7,7-Trimethylbicyclo[2.2.1]heptane-2β-ol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
(+)-IsoborneolIsoborneol, (+)-16725-71-6(S,S,S)-(+)-Isoborneol(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol8GDX32M6KFIsoborneol, (1S,2S,4S)-(+)-Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1S,2S,4S)-DTXSID40168259(1S,2S,4S)-1,7,7-trimethylbicyclo(2.2.1)heptan-2-olRefChem:1048956Isoborneol (1S,2S,4S)-
Show more names
Isoborneol ImpurityIsoborneol Impurity 1(1S,4S)-Bornane-2β-ol[1S,2S,4S,(+)]-Bornan-2-ol(1S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2β-ol(1S,4β)-1α,7,7-Trimethylbicyclo[2.2.1]heptane-2β-olBicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2S,4S)-[1S,2S,4S,(+)]-1,7,7-Trimethylbicyclo[2.2.1]heptan-2β-ol
DTXCID0090750UNII-8GDX32M6KFIsoborneol (1S,2S,4S)-form [MI]epi-Borneol(?)-borneol(1S,4beta)-1alpha,7,7-Trimethylbicyclo[2.2.1]heptane-2beta-olendo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol(1S,2S,4S)-Isoborneol
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Melting Point214 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 212 · 212.0±0.0 °C(Predicted)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- pka
- 15.36 · 15.36±0.60(Predicted)
- FDA UNII
- 8 GDX32M6KF · 8GDX32M6KF
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Suppliers4 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Additional notes
DefinitionChEBI: (+)-isoborneol is a borneol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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