alpha-Bisabolol - ≥90% , CAS No.515-69-5

CAS: 515-69-5 Cat. No.: B303857 分子式: C₁₅H₂₆O 分子量: 222.37 EC番号: 208-205-9

GRADE & PURITY ≥90%

Synonyms

(R)-6-Methyl-2-((R)-4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol | 36HQN158VC | 3-CYCLOHEXENE-1-METHANOL, .ALPHA.,4-DIMETHYL-.ALPHA.-(4-METHYL- 3-PENTEN-1-YL)-, (.ALPHA.R,1R)-REL- | .ALPHA.-BISABOLOL [MI] | BISABOLA-1,12-DIEN-8-OL | EINECS 208-205-9 | AKOS01

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

Application：

It finds its application as a masking agent, skin conditioning agent and soothing agent in cosmetics industry. The most important effects of Bisabolol for the use in cosmetics are anti-inflammatory, wound-healing, anti-bacterial and anti-mycotic. Bisabolol is therefore perfectly suited for the use in all kinds of skin-care products It can be used as active substance in cosmetic preparations for the protection and care of sensitive skin, preparations for babies and children, sunscreen and after-sun products, aftershaves and preparations for the oral hygiene.

Specifications

同義語

(R)-6-Methyl-2-((R)-4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol | 36HQN158VC | 3-CYCLOHEXENE-1-METHANOL, .ALPHA.,4-DIMETHYL-.ALPHA.-(4-METHYL- 3-PENTEN-1-YL)-, (.ALPHA.R,1R)-REL- | .ALPHA.-BISABOLOL [MI] | BISABOLA-1,12-DIEN-8-OL | EINECS 208-205-9 | AKOS01

仕様と純度

≥90%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥90%

名前と識別子

• パブケム・シド: 504760594
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504760594
• カノニカル・スマイル: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
• IUPAC Name: (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
• InChIKey: RGZSQWQPBWRIAQ-LSDHHAIUSA-N
• INCHI: 1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m0/s1
• 異性体SMILES: CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O
• 分子量: 222.37
• Reaxy-Rn: 2209092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209092&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Tertiary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Bisabolane sesquiterpenoid - Sesquiterpenoid - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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

関連ターゲット（人間）

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (0 Activities)

Discover Target: CHRNA7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in alcohol, natural, mineral and synthetic oils. Insoluble in water.
• 感度: air sensitive
• 屈折率: 1.49
• 引火点（°C）: 135°C
• 沸点（°C）: 154-156°C
• 分子量: 222.370 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 222.198 Da
• Monoisotopic Mass: 222.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

参考文献

1. Yan Yang, Siying Liu, Yan Wang, Qin Yang, Baoan Wang, Yuting Zhang, Zaikang Tong, Junhong Zhang.  (2025)  Antifungal mechanisms of Phoebe bournei wood essential oil against Botryosphaeria dothidea and its application in apples.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2025.113703]

よくある質問

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 515-69-5, the molecular formula is C15H26O, and the molecular weight is 222.37 g/mol. InChIKey RGZSQWQPBWRIAQ-LSDHHAIUSA-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.