Cas no 22029-76-1 (3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-)

3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- is a cyclic terpene alcohol derivative with potential applications in fragrance and flavor synthesis. Its structure, featuring a cyclohexenyl group and an unsaturated alcohol moiety, makes it a versatile intermediate for producing complex aroma compounds. The compound's reactivity allows for selective functionalization, enabling the creation of tailored derivatives for perfumery or pharmaceutical use. Its stability under standard conditions ensures consistent handling and storage. The presence of the trimethylcyclohexenyl group contributes to its potential as a precursor for woody, amber-like scent profiles. Further research may explore its utility in asymmetric synthesis due to its chiral center.
3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- structure
22029-76-1 structure
Product Name:3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS No:22029-76-1
MF:C13H22O
MW:194.313184261322
MDL:MFCD00036597
CID:263595
PubChem ID:24845035
Update Time:2025-08-02

3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • β-Ionol
    • BETA-IONOL
    • 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
    • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-ol
    • FEMA 3625
    • EINECS 277-648-8
    • AKOS027320412
    • .BETA.-IONOL [FHFI]
    • (+/-)-Trans-beta-I(Eonol
    • Trans-beta-ionol
    • UNII-HTL4B7G3HH
    • FEMA No. 3625
    • 73952-68-8
    • beta-Ionol, (E)-
    • b-Ionol
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
    • EINECS 244-735-7
    • (+/-)-TRANS-.BETA.-IONOL
    • 472-80-0
    • HTL4B7G3HH
    • beta-Ionol, technical, >=90% (GC)
    • (E)-4-(2,6,6-trimethylcyclohex-1-enyl)-3-buten-2-ol
    • .BETA.-IONOL
    • (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol #
    • SCHEMBL891562
    • CHEBI:191586
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
    • (E)-beta-ionol
    • .beta. Ionol
    • .BETA.-IONOL, (E)-
    • TRANS-.BETA.-IONOL
    • (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
    • (E)-4-(2,6,6-trimethylcyclohex-1-enyl)but-3-en-2-ol
    • Q27280092
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • Ionol,beta
    • 4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-ol
    • 2-Hydroxy-beta-ionone
    • Ionol, beta-
    • 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-ol
    • AI3-25084
    • beta-Ionol, analytical standard
    • CS-0336379
    • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-But-3-en-2-ol
    • beta-lonol
    • (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol
    • But-3-en-2-ol, 4-(2,6,6-trimethyl-1-cyclohexenyl)-
    • 22029-76-1
    • STL560972
    • MDL: MFCD00036597
    • Inchi: 1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,11,14H,5-6,9H2,1-4H3/b8-7+
    • InChI Key: CNOPDZWOYFOHGN-BQYQJAHWSA-N
    • SMILES: OC(C)/C=C/C1=C(C)CCCC1(C)C

Computed Properties

  • Exact Mass: 194.16700
  • Monoisotopic Mass: 194.167
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 258
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • Color/Form: Liquid, with strong raspberry and violet aromas, and fruity and woody notes
  • Density: 0.928?g/mL?at 20?°C(lit.)
  • Boiling Point: 107?°C/3?mmHg(lit.)
  • Flash Point: Fahrenheit: 199.4 ° f < br / > Celsius: 93 ° C < br / >
  • Refractive Index: n20/D 1.501
  • PSA: 20.23000
  • LogP: 3.45000
  • Sensitiveness: Sensitive to air
  • FEMA: 3625 | BETA-IONOL

3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- Security Information

  • WGK Germany:2
  • Safety Instruction: S23-S24/25
  • FLUKA BRAND F CODES:10-23
  • RTECS:EM9630000

3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- Pricemore >>

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Additional information on 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

Comprehensive Overview of 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS No. 22029-76-1): Properties, Applications, and Industry Trends

3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS No. 22029-76-1) is a specialized organic compound with a unique molecular structure that combines an unsaturated alcohol (3-Buten-2-ol) with a terpenoid-derived cyclohexene moiety. This compound has garnered significant attention in the fragrance and flavor industry due to its potential as a versatile intermediate. Its CAS registry number 22029-76-1 serves as a critical identifier for researchers and manufacturers seeking precise chemical data.

The structural features of this compound include a reactive butenol group and a trimethylcyclohexene ring, which contribute to its distinctive physicochemical properties. With a molecular formula of C13H22O, it exhibits moderate polarity and volatility, making it suitable for applications requiring controlled release or solubility in organic matrices. Recent studies highlight its role in synthesizing flavor enhancers and aromatic precursors, aligning with the growing demand for sustainable fragrance ingredients in cosmetics and food science.

In the context of green chemistry trends, 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- has been explored as a bio-based alternative to synthetic aroma compounds. Researchers are investigating its derivatization potential to create low-impact fragrance molecules, addressing consumer preferences for eco-friendly products. Analytical techniques like GC-MS and NMR have been employed to characterize its purity and stability, ensuring compliance with international standards such as IFRA and FDA guidelines for ingredient safety.

The compound’s relevance extends to pheromone research, where its structural analogs are studied for insect behavior modulation—a topic gaining traction due to the global push for pesticide-free agriculture. Additionally, its CAS No. 22029-76-1 frequently appears in patent literature related to controlled-release formulations, reflecting innovation in encapsulation technologies for prolonged efficacy in functional products.

From a commercial perspective, suppliers of 3-Buten-2-ol derivatives emphasize scalability and cost-efficiency, particularly for niche markets like luxury perfumery and functional foods. Regulatory databases classify it as non-hazardous under normal handling conditions, though proper storage away from oxidizers is recommended. Its odor profile, often described as woody with citrus undertones, makes it valuable for creating complex scent accords in premium consumer goods.

Emerging applications include its use in biodegradable polymers as a crosslinking agent, capitalizing on its unsaturated bonds for polymerization reactions. This aligns with circular economy principles, a hot topic in material science forums. Furthermore, computational chemistry models predict its compatibility with other terpene-based compounds, opening avenues for novel hybrid materials in packaging and coatings.

For researchers querying "synthesis of 3-Buten-2-ol derivatives" or "CAS 22029-76-1 suppliers," this compound represents a bridge between academic exploration and industrial innovation. Its patent landscape reveals incremental improvements in catalytic conversion methods, reducing energy consumption—a key focus area for carbon-neutral manufacturing initiatives. Analytical certificates typically report ≥95% purity, with residual solvent levels adhering to ICH Q3C guidelines.

In summary, 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS No. 22029-76-1) exemplifies the intersection of chemistry and sustainability. Its multifaceted applications—from fragrance design to advanced materials—underscore its value in addressing contemporary challenges while meeting stringent regulatory and environmental criteria.

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