10-Hydroxygeraniol - ≥95% , CAS No.26488-97-1

CAS: 26488-97-1 Cat. No.: H340461 Molecular Weight: 170.25 EC Number: 684-168-6

GRADE & PURITY ≥95%

Synonyms

(6E)-8-hydroxygeraniol | (E,E)-2,6-DIMETHYL-2,6-OCTADIENE-1,8-DIOL | C17621 | TRANS,TRANS-2,6-DIMETHYL-2,6-OCTADIENE-1,8-DIOL) | (2E,6E)-2,6-Dimethyl-2,6-octadiene-1,8-diol | PREUOUJFXMCMSJ-TXFIJWAUSA-N | 10-hydroxygeraniol | Q20707312 | 6WX29M860A | SCHE

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

10-Hydroxygeraniol is a monoterpene which is synthesized from geraniol. 10-Hydroxygeraniol is a substrate for 8-hydroxygeraniol dehydrogenase (G80) and is a step in the synthesis of the secologanin which is a key monoterpene needed for formation of terpene indole alkaloids.

Specifications

Synonyms

(6E)-8-hydroxygeraniol | (E, E)-2, 6-DIMETHYL-2, 6-OCTADIENE-1, 8-DIOL | C17621 | TRANS, TRANS-2, 6-DIMETHYL-2, 6-OCTADIENE-1, 8-DIOL) | (2E, 6E)-2, 6-Dimethyl-2, 6-octadiene-1, 8-diol | PREUOUJFXMCMSJ-TXFIJWAUSA-N | 10-hydroxygeraniol | Q20707312 | 6WX29M860A | SCHE

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(=CCO)CCC=C(C)CO
• IUPAC Name: (2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol
• InChIKey: PREUOUJFXMCMSJ-TXFIJWAUSA-N
• INCHI: 1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+
• Isomeric SMILES: C/C(=C\CO)/CC/C=C(\C)/CO
• Molecular Weight: 170.25
• Reaxy-Rn: 1931393
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931393&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: Acyclic monoterpenoids
• Alternative Parents: Fatty alcohols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Fatty alcohol - Fatty acyl - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• External Descriptors: Linear 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

Chemical and Physical Properties

• Solubility: Soluble in chloroform, DMSO, and dichloromethane.
• Sensitivity: Light sensitive
• Refractive Index: n20D1.50 (Predicted)
• Boil Point(°C): ~288.8° C at 760 mmHg (Predicted)
• Molecular Weight: 170.250 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 170.131 Da
• Monoisotopic Mass: 170.131 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 169.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1