Eucalyptol - Moligand™, Standard for GC, ≥99.5%(GC) , CAS No.470-82-6

CAS: 470-82-6 Cat. No.: E111234 Formula: C₁₀H₁₈O Molecular Weight: 154.25 Beilstein Registry Number: 105109 EC Number: 207-431-5

GRADE & PURITY Moligand™, Standard for GC, ≥99.5%(GC)

Synonyms

Cajeputol | 1,8-Epoxy-p-menthane | 1,8-Oxido-p-menthane | 1,8-Cineole | Eucapur | p-Cineole | 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane | cineole | 1,8-Cineol | Zineol | Terpan | Eucalyptole

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

Cajeputol | 1,8-Epoxy-p-menthane | 1,8-Oxido-p-menthane | 1,8-Cineole | Eucapur | p-Cineole | 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane | cineole | 1,8-Cineol | Zineol | Terpan | Eucalyptole

Specifications & Purity

Moligand™, Standard for GC, ≥99.5%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Moligand™, Standard for GC

Action Type

INHIBITOR

Purity

≥99.5%(GC)

Names and Identifiers

Pubchem Sid

508813739

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813739

Canonical Smiles

CC1(C2CCC(O1)(CC2)C)C

IUPAC Name

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

InChIKey

WEEGYLXZBRQIMU-UHFFFAOYSA-N

INCHI

1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3

Isomeric SMILES

CC1(C2CCC(O1)(CC2)C)C

WGK Germany

2

UN Number

1993

Packing Group

I

Molecular Weight

154.25

Beilstein

105109

Reaxy-Rn

105109

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105109&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• External Descriptors: a monoterpenoid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (2 Activities)

Discover Target: TRPM8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Refractive Index: n20/D 1.457 (lit.)
• Flash Point(°C): 48° C
• Boil Point(°C): 176-177 °C (lit.)
• Melt Point(°C): 1-2 °C (lit.)
• Molecular Weight: 154.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 164.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1