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

CAS: 515-69-5 Cat. No.: B303857 Molecular Weight: 222.37 EC Number: 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

Overview

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

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

Specifications & Purity

≥90%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504760594
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760594
• Canonical Smiles: 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
• Isomeric SMILES: CC1=CC[C@@H](CC1)[C@@](C)(CCC=C(C)C)O
• Molecular Weight: 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
    • Class Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol, natural, mineral and synthetic oils. Insoluble in water.
• Sensitivity: air sensitive
• Refractive Index: 1.49
• Flash Point(°C): 135°C
• Boil Point(°C): 154-156°C
• Molecular Weight: 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

References

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]