Sandalore - Moligand™,≥90%,(isomeric mixture) , CAS No.65113-99-7

CAS: 65113-99-7 Cat. No.: S695432 Molecular Weight: 210.36 EC Number: 265-453-0

GRADE & PURITY Moligand™, ≥90%,(isomeric mixture)

Synonyms

3-Methyl-5-(2,2,3-trimethyl-3-cyclopentenyl)pentan-2-ol | 3-Methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol | 3-Campholenyl-2-butanol | 5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methyl-pentan-2-ol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-Methyl-5-(2, 2, 3-trimethyl-3-cyclopentenyl)pentan-2-ol | 3-Methyl-5-(2, 2, 3-trimethylcyclopent-3-en-1-yl)pentan-2-ol | 3-Campholenyl-2-butanol | 5-(2, 2, 3-Trimethyl-3-cyclopentenyl)-3-methyl-pentan-2-ol

Specifications & Purity

Moligand™, ≥90%, (isomeric mixture)

Biochemical and Physiological Mechanisms

3-Campholenyl-2-butanol, a synthetic sandalwood odorant, is a selective olfactory receptor OR2AT4 agonist. 3-Campholenyl-2-butanol prolongs human hair growth ex vivo by decreasing apoptosis and increasing production of the anagen-prolonging growth factor

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥90%, (isomeric mixture)

Names and Identifiers

• Canonical Smiles: CC1=CCC(C1(C)C)CCC(C)C(C)O
• IUPAC Name: 3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol
• InChIKey: NGYMOTOXXHCHOC-UHFFFAOYSA-N
• INCHI: 1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3
• Isomeric SMILES: CC1=CCC(C1(C)C)CCC(C)C(C)O
• Alternate CAS: 65113-99-7
• MeSH Entry Terms: 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-pentanol;pentamethylcyclopent-3-ene-butanol;Sandalore
• Molecular Weight: 210.36

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: Monocyclic monoterpenoids
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocyclic monoterpenoid - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain.
• External Descriptors: Not available

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

• Molecular Weight: 210.360 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 210.198 Da
• Monoisotopic Mass: 210.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 240.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1