A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Eucalyptol are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Eucalyptol?

The molecule Eucalyptol presents a molecular formula of C10H18O and its IUPAC name is 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane.

Eucalyptol is a bicyclic monoterpene that is the main component of the essential oil of eucalyptus. It has a fresh, minty aroma and is used in flavorings, fragrances, and cleaning products. Eucalyptol is also used as an ingredient in medical products such as cough suppressants and mouthwashes..

Eucalyptol is produced naturally by the steam distillation of eucalyptus leaves. It is also found in other plants, such as bay laurel, rosemary, and tea tree. The chemical structure of eucalyptol is similar to that of menthol, which gives it a minty flavor and aroma..

Eucalyptol has a variety of benefits and uses. In addition to its pleasant flavor and scent, eucalyptol has been shown to have antimicrobial, anti-inflammatory, and analgesic properties. Eucalyptol has also been shown to be effective in treating respiratory conditions such as bronchitis and asthma..

Eucalyptol is generally considered to be safe for human use. However, some people may experience side effects such as skin irritation, headache, and dizziness. If you experience any of these side effects, discontinue use and consult your healthcare provider..

3D structure

Cartesian coordinates

Geometry of Eucalyptol in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing


Eucalyptol WEEGYLXZBRQIMU-UHFFFAOYSA-N chemical compound 2D structure molecule svg


Molecule descriptors

IUPAC name1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
InChI codeInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • (1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
  • 1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane
  • 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
  • 1,3,3-trimethyl-2-oxabicyclo[2,2,2]octane
  • 1,3-Trimethyl-2-oxabicyclo[2.2.2]octane
  • 1,8-Cineol
  • 1,8-Cineol-[d3]
  • 1,8-Cineole
  • 1,8-Epoxy-p-menthane
  • 1,8-Oxido-p-menthane
  • 1.8-cineole
  • 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
  • 2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane
  • 2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
  • 2-Oxa-1,3-trimethylbicyclo[2.2.2]octane
  • 2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-
  • 2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
  • 2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-
  • 4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane
  • 470-82-6
  • 8000-48-4
  • A15662
  • AB01563262_01
  • AC-20234
  • AI3-00578
  • Acylated oxime isatin derivative, 19
  • BDBM50459887
  • BIDD:ER0481
  • BSPBio_002405
  • C09844
  • CCG-266254
  • CCG-36080
  • CCRIS 3727
  • CNL
  • CS-8146
  • Cajeputol
  • Cineole (Eucalyptol)
  • Cucalyptol
  • Cyneol
  • D04115
  • DB-070775
  • DB03852
  • DSSTox_CID_616
  • DSSTox_GSID_20616
  • DSSTox_RID_75692
  • DivK1c_000333
  • EC 207-431-5
  • Eucaly
  • Eucalyptol
  • Eucalyptol, Ph Helv
  • Eucalyptol, tested according to Ph.Eur.
  • Eucalyptol,(S)
  • Eucalyptole
  • Eucalyptus citriodora oil
  • Eucapur
  • Eukalyptol
  • F0001-1260
  • FEMA No. 2465
  • FT-0607033
  • FT-0626369
  • GTPL2464
  • HMS2271P04
  • HMS501A15
  • HSDB 991
  • HY-N0066
  • IDI1_000333
  • KBio1_000333
  • KBio3_001625
  • KBioGR_002194
  • LMPR0102090019
  • LS-13868
  • MFCD00167977
  • MLS001050089
  • MLS001066338
  • NCGC00091666-01
  • NCGC00091666-02
  • NCGC00091666-03
  • NCGC00091666-04
  • NCGC00091666-05
  • NCGC00095774-01
  • NCGC00178671-01
  • NCGC00256479-01
  • NCGC00259639-01
  • NCI-C56575
  • NCI60_005108
  • NINDS_000333
  • NSC 6171
  • NSC-6171
  • NSC-760388
  • NSC6171
  • NSC760388
  • Pharmakon1600-01500294
  • Q161572
  • RV6J6604TK
  • SMR000471853
  • SPECTRUM1500294
  • SR-01000763816
  • SR-01000763816-2
  • Soledum
  • Terpan
  • Terpane
  • W-106080
  • WLN: T66 A B AOTJ B1 B1 F1
  • Zedoary oil
  • Zineol
  • bmse000523
  • cineole
  • cineole (1,8-)
  • p-Cineole
  • p-Menthane, 1,8-epoxy-
  • p-Menthane,8-epoxy-

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC967566
  • CAS-470-82-6
  • UNII-RV6J6604TK
  • AKOS015903223
  • AKOS016034339
  • AKOS037514637
  • DTXSID4020616
  • CHEMBL485259
  • CHEMBL1231862
  • CHEMBL1397305
  • CHEBI:27961
  • Tox21_111161
  • Tox21_202090
  • Tox21_302902
  • Tox21_111161_1
  • EINECS 207-431-5
  • SPBio_000261
  • SCHEMBL19622
  • SCHEMBL41020
  • SCHEMBL13554591
  • SCHEMBL17836873
  • Spectrum2_000221
  • Spectrum3_000683
  • Spectrum4_001747
  • Spectrum5_000704

Physico-Chemical properties

IUPAC name1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
Molecular formulaC10H18O
Molecular weight154.249
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity47.12
Topological polar surface area9.2

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.