(R)-(+)-β-Citronellol - Moligand™, ≥97% , CAS No.1117-61-9

CAS: 1117-61-9 Cat. No.: R468579 Summenformel: C₁₀H₂₀O Molekulargewicht: 156.27 EG-Nummer: 214-250-5

GRADE & PURITY Moligand™, ≥97%

Synonyms

(R)-(+)-3,7-dimethyl-oct-6-en-1-ol | DTXCID601022015 | (R)-(+)-beta -Citronellol | DTXSID00880647 | F82355 | J-511419 | Purifying relief soothing gel essence | (R)-(+)-.beta.-Citronellol | 2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenthiazine |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

Description

(R)-(+)-β-Citronellol can undergo:Oxidation to form (R)-(+)-citronellal, an antifungal agent and (R)-(+)-citronellic acid.Intermolecular olefin aziridination with 2,2,2-trichloroethoxysulfonamide to form citronellol aziridine for ring-opening reactions.Series of reactions to form α2δ-ligands for treating generalized anxiety disorder and insomnia.(R)-(+)-β-Citronellol can be used to prepare:(R)-(+)-β-citronellyl acetate by treating with vinyl acetate via trans esterification reaction using immobilizedRhizomucor mieheilipase as biocatalyst.(R)-(+)-citronellal and (R)-(+)-citronellic acid by the oxidation reaction.Citronellol aziridine by treating with 2,2,2-trichloroethoxysulfonamide by intermolecular olefin aziridination.It can also be used as a starting material for the synthesis of (+)-integerrinecic acid lactone.

Specifications

Synonyme

(R)-(+)-3,7-dimethyl-oct-6-en-1-ol | DTXCID601022015 | (R)-(+)-beta -Citronellol | DTXSID00880647 | F82355 | J-511419 | Purifying relief soothing gel essence | (R)-(+)-.beta.-Citronellol | 2-(Ethylthio)-10-[3-(4-methyl-1-piperazinyl)propyl]phenthiazine |

Spezifikationen & Reinheit

Moligand™, ≥97%

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC(CCC=C(C)C)CCO

IUPAC Name

(3R)-3,7-dimethyloct-6-en-1-ol

InChIKey

QMVPMAAFGQKVCJ-SNVBAGLBSA-N

INCHI

1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1

Isomere SMILES

C[C@H](CCC=C(C)C)CCO

Molekulargewicht

156.27

Reaxy-Rn

1362474

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362474&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• External Descriptors: Acyclic monoterpenoids

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

Zugehörige Ziele (menschlich)

UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

Discover Target: UGT1A1

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

UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

Discover Target: UGT1A9

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

UGT2A1 UDP-glucuronosyltransferase 2A1 (59 Activities)

Discover Target: UGT2A1

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

Zugehörige Ziele (nicht menschlich)

Tribolium castaneum (596 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Brechungsindex: n20/D 1.456 (lit.)
• Flammpunkt (°F): 212.0 °F
• Flammpunkt (°C): 100 °C
• Siedepunkt (°C): 112-113 °C/12 mmHg (lit.)
• Molekulargewicht: 156.260 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 156.151 Da
• Monoisotopic Mass: 156.151 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 112.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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