1,4-Cineole - ≥93%(GC) , CAS No.470-67-7

CAS: 470-67-7 Cat. No.: C405547 Molecular Weight: 154.25 EC Number: 207-428-9

GRADE & PURITY ≥93%(GC)

Synonyms

1,4-Cineole, analytical standard | BRN 0104974 | CCG-266250 | CHEBI:80788 | SCHEMBL231925 | F82275 | MFCD00209502 | (+/-)-1,4-CINEOLE | 1-METHYL-4-(1-METHYLETHYL)-7-OXABICYCLO[2.2.1]HEPTANE | C16909 | 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane |

Storage

Room temperature

Specifications

Synonyms

1, 4-Cineole, analytical standard | BRN 0104974 | CCG-266250 | CHEBI:80788 | SCHEMBL231925 | F82275 | MFCD00209502 | (+/-)-1, 4-CINEOLE | 1-METHYL-4-(1-METHYLETHYL)-7-OXABICYCLO[2.2.1]HEPTANE | C16909 | 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane |

Specifications & Purity

≥93%(GC)

Storage

Room temperature

Action Type

ACTIVATOR

Purity

≥93%(GC)

Names and Identifiers

• Pubchem Sid: 488181080
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181080
• Canonical Smiles: CC(C)C12CCC(O1)(CC2)C
• IUPAC Name: 1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
• InChIKey: RFFOTVCVTJUTAD-UHFFFAOYSA-N
• INCHI: 1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
• Isomeric SMILES: CC(C)C12CCC(O1)(CC2)C
• WGK Germany: 2
• RTECS: OS9274000
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 154.25
• Reaxy-Rn: 104974
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104974&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Menthane monoterpenoids Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: P-menthane monoterpenoid - Bicyclic monoterpenoid - Tetrahydrofuran - Oxacycle - Organoheterocyclic compound - 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 bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• External Descriptors: Cyclic monoterpenes

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(non-human)

Musca domestica (713 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water; Soluble in Benzene,Ether,Alcohol
• Refractive Index: 1.445-1.456
• Flash Point(°F): 116.6 °F
• Flash Point(°C): 47 °C
• Boil Point(°C): 173 °C
• Melt Point(°C): -46 °C
• Molecular Weight: 154.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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