Guaiene - ≥90%(mixture of isomers) , CAS No.88-84-6

CAS: 88-84-6 Cat. No.: G337789 Molecular Weight: 204.35 EC Number: 201-860-1

GRADE & PURITY ≥90%(mixture of isomers)

Synonyms

Guaiene(Technical) | Guaiene, beta- | Guaia-1(5),7(11)-diene | (1S,4S)-1,4-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene | beta-Guaiene | .beta.-Guaiene | Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S-cis)-

Storage

Room temperature

Shipped In

Normal

Overview

Guaiene is a fragrance.

Specifications

Synonyms

Guaiene(Technical) | Guaiene, beta- | Guaia-1(5), 7(11)-diene | (1S, 4S)-1, 4-Dimethyl-7-(propan-2-ylidene)-1, 2, 3, 4, 5, 6, 7, 8-octahydroazulene | beta-Guaiene | .beta.-Guaiene | Azulene, 1, 2, 3, 4, 5, 6, 7, 8-octahydro-1, 4-dimethyl-7-(1-methylethylidene)-, (1S-cis)-

Specifications & Purity

≥90%(mixture of isomers)

Storage

Room temperature

Shipped In

Normal

Purity

≥90%(mixture of isomers)

Names and Identifiers

• Pubchem Sid: 488198920
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198920
• Canonical Smiles: CC1CCC(=C(C)C)CC2=C1CCC2C
• IUPAC Name: (1S,4S)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
• InChIKey: GIBQERSGRNPMEH-RYUDHWBXSA-N
• INCHI: 1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m0/s1
• Isomeric SMILES: C[C@H]1CCC(=C(C)C)CC2=C1CC[C@@H]2C
• RTECS: ME6344000
• Molecular Weight: 204.35
• Reaxy-Rn: 2554459
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2554459&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: Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Sesquiterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic 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

Chemical and Physical Properties

• Boil Point(°C): 123-124° C at 9 mmHg
• Molecular Weight: 204.350 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 204.188 Da
• Monoisotopic Mass: 204.188 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 313.000
• 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. Zhishen Xie, Mengmeng Wang, Qingqing Song, Xuan Su, Jenny Jie Chen, Jiangyan Xu, Zhenqiang Zhang, Tongxiang Liu, Xiaowei Zhang, Gai Gao.  (2025)  Germacrone Ameliorates Diabetic Kidney Disease by Activating TFEB to Promote Autophagy and Inhibit Inflammation.  ACS Omega,      [PMID:41322532] [10.1021/acsomega.5c00038]