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

CAS: 106-22-9 Cat. No.: C102066 分子式: C₁₀H₂₀O 分子量: 156.27 Beilstein Registry Number: 1721507 EC番号: 203-375-0

グレード＆純度 ≥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

概要

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.

仕様

同義語

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

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

アクションタイプ

INHIBITOR

純度

≥95%

Product Line

C102066-25ml

名前と識別子

パブケム・シド

504751744

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CC(CCC=C(C)C)CCO

WGKドイツ

1

RTECS

RH3400000

分子量

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
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: slightly soluble in water.
• 屈折率: 1.455-1.458
• 引火点（°F）: 210.2 °F
• 引火点（°C）: 79 °C
• 沸点（°C）: 222°C
• 分子量: 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

よくある質問

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.