β-Citronellol - ≥95% , CAS No.106-22-9

CAS: 106-22-9 Cat. No.: C102066 Fórmula: C₁₀H₂₀O Peso molecular: 156.27 Beilstein Registry Number: 1721507 Número EC: 203-375-0

CALIDAD & PUREZA ≥95%

Synonyms

beta-Citronellol, 95% | (+/-)-beta-Citronellol | beta-Citronellol | NCGC00259668-01 | FT-0623965 | NCGC00091348-02 | STK085542 | (+/-)-.BETA.-CITRONELLOL | (S)-(-)- | 565OK72VNF | 6-Octen-1-ol, 3,7-dimethyl-, (+/-)- | HMS2267B17 | NCGC00091348-03 | NCGC00

Storage

Room temperature

Shipped In

Normal

Descripción general

A phytochemical used in perfumes and insect repellents.

Citronellol is a volatile monoterpenic primary alcohol mainly found in the essential oil of plants such as Pelargonium graveolens, Cymbopogon winterianus and Rosa damascena. It is also one of the glycosidically bound aroma compounds in ginger.

Especificaciones

Sinónimos

beta-Citronellol, 95% | (+/-)-beta-Citronellol | beta-Citronellol | NCGC00259668-01 | FT-0623965 | NCGC00091348-02 | STK085542 | (+/-)-.BETA.-CITRONELLOL | (S)-(-)- | 565OK72VNF | 6-Octen-1-ol, 3,7-dimethyl-, (+/-)- | HMS2267B17 | NCGC00091348-03 | NCGC00

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥95%

Product Line

C102066-25ml

Nombres e identificadores

Pubchem Sid

504751744

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751744

Sonrisas canónicas

CC(CCC=C(C)C)CCO

IUPAC Name

3,7-dimethyloct-6-en-1-ol

InChIKey

QMVPMAAFGQKVCJ-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

CC(CCC=C(C)C)CCO

WGK Alemania

1

RTECS

RH3400000

Peso molecular

156.27

Beilstein

1721507

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
    • Clase Prenol lipids
      • Subclass Monoterpenoids

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

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

Objetivos asociados (humanos)

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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TRPV1 Tclin Vanilloid receptor (8273 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1719 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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

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Objetivos asociados (no humanos)

Mycobacterium tuberculosis (203094 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Tetranychus urticae (2600 Activities)

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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

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Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

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Athelia rolfsii (768 Activities)

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Colletotrichum gloeosporioides (560 Activities)

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Leptinotarsa decemlineata (1161 Activities)

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Tribolium castaneum (596 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Corticium (78 Activities)

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Pythium (470 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: slightly soluble in water.
• Índice de refracción: 1.455-1.458
• Punto de inflamación (°F): 210.2 °F
• Punto de inflamación (°C): 79 °C
• Punto de ebullición (°C): 222°C
• Peso molecular: 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 106-22-9, the molecular formula is C10H20O, and the molecular weight is 156.27 g/mol. InChIKey QMVPMAAFGQKVCJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.