Tricyclene - ≥95% , CAS No.508-32-7

CAS: 508-32-7 Cat. No.: T694649 Molecular Weight: 136.23 EC Number: 208-083-7 PubChem CID: 79035

GRADE & PURITY ≥95%

Synonyms

NSC 86978 | 1,7,7-trimethyl-tricyclo[2.2.1.0²,⁶]heptane

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Tricyclene is a monoterpene that has been found in a variety of conifers, including Abies, Pinus, Picea, and Tsuga.

Specifications

Synonyms

NSC 86978 | 1, 7, 7-trimethyl-tricyclo[2.2.1.0², ⁶]heptane

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Product Properties

• ALogP: 3.2

Names and Identifiers

• Canonical Smiles: CC1(C2CC3C1(C3C2)C)C
• IUPAC Name: 1,7,7-trimethyltricyclo[2.2.1.02,6]heptane
• InChIKey: RRBYUSWBLVXTQN-UHFFFAOYSA-N
• INCHI: 1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3
• Isomeric SMILES: CC1(C2CC3C1(C3C2)C)C
• PubChem CID: 79035
• Molecular Weight: 136.23

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: Polycyclic hydrocarbons Saturated hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bornane monoterpenoid - Polycyclic hydrocarbon - Saturated hydrocarbon - Hydrocarbon - Aliphatic homopolycyclic 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: 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

Chemical and Physical Properties

• Solubility: Chloroform: Slightly soluble；Methanol: Slightly soluble
• Molecular Weight: 136.230 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125 Da
• Monoisotopic Mass: 136.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1