Cas no 79-77-6 (beta-Ionone, synthetic)
beta-Ionone, synthetic Chemical and Physical Properties
Names and Identifiers
-
- beta-ionone
- 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
- β-Ionone
- b-Ionone
- IONONE,B
- OIL
- (3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
- trans-beta-Ionone
- (E)-beta-Ionone
- 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
- .beta.-Ionone
- (E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
- ss-Ionone
- beta-E-Ionone
- beta-Cyclocitrylideneacetone
- 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
- 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one (ACI)
- 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)- (8CI)
- (E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
- (E)-4-(2,6,6-Trimethylcyclohex-1-enyl)but-3-en-2-one
- (E)-β-Ionone
- Ionone beta
- trans-β-Ionone
- trans-β-Lonone
- ?2-Ionone
- beta-Ionon
- beta-Ionone, synthetic
-
- MDL: MFCD00001549
- Inchi: 1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
- InChI Key: PSQYTAPXSHCGMF-BQYQJAHWSA-N
- SMILES: C(/C1=C(C)CCCC1(C)C)=C\C(=O)C
- BRN: 1909544
Computed Properties
- Exact Mass: 192.15100
- Monoisotopic Mass: 192.151415
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2.9
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: Light yellow to colorless liquid with violet fragrance, But the woody fragrance is more prominent.
- Density: 0.945
- Melting Point: -49°C
- Boiling Point: 126-128 oC (12 mmHg)
- Flash Point: >110 oC
- Refractive Index: 1.52
- Solubility: 0.11g/l insoluble
- Water Partition Coefficient: Soluble in water (0.11 mg/mI at 20°C).
- PSA: 17.07000
- LogP: 3.65820
- Merck: 14,5056
- Solubility: Soluble in ethanol, ether, propylene glycol, slightly soluble in water and glycerol
beta-Ionone, synthetic Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Hazardous Material transportation number:UN 3082 9/PG 3
- WGK Germany:2
- Hazard Category Code: R36;R51/53
- Safety Instruction: S61-S36/37-S26
- RTECS:EN0500000
-
Hazardous Material Identification:
- Risk Phrases:R36; R51/53
- Safety Term:S26;S36/37;S61
- TSCA:Yes
- Storage Condition:Ambient temperatures.
beta-Ionone, synthetic Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | I043A-25g |
beta-Ionone, synthetic |
79-77-6 | 95% | 25g |
¥46.0 | 2022-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | I043A-100g |
beta-Ionone, synthetic |
79-77-6 | 95% | 100g |
¥118.0 | 2022-05-30 | |
| HE FEI BO MEI SHENG WU KE JI YOU XIAN ZE REN GONG SI | ZI3176-100ml |
beta-Ionone, synthetic |
79-77-6 | ≥96% | 100ml |
¥450元 | 2023-09-15 | |
| HE FEI BO MEI SHENG WU KE JI YOU XIAN ZE REN GONG SI | ZI3176-25ml |
beta-Ionone, synthetic |
79-77-6 | ≥96% | 25ml |
¥170元 | 2023-09-15 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 91036-100MG |
β-Ionone |
79-77-6 | 100mg |
¥1259.02 | 2023-10-21 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TN2999-25 mg |
4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one |
79-77-6 | 25mg |
¥378.00 | 2022-04-26 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | I830244-500g |
beta-Ionone |
79-77-6 | 95% | 500g |
436.00 | 2021-05-17 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | A13400-100g |
beta-Ionone, 96% |
79-77-6 | 96% | 100g |
¥517.00 | 2023-06-30 | |
| A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI | A13400-500g |
beta-Ionone, 96% |
79-77-6 | 96% | 500g |
¥2089.00 | 2023-06-30 | |
| TRC | I731280-1g |
b-Ionone |
79-77-6 | 1g |
$ 181.00 | 2023-09-07 |
beta-Ionone, synthetic Production Method
Production Method 1
1.2 Reagents: Acetone Catalysts: Sodium tert-butoxide Solvents: Toluene ; 24 h, 90 °C
Production Method 2
Production Method 3
Production Method 4
Production Method 5
1.2 Reagents: Sodium thiosulfate Solvents: Water
Production Method 6
Production Method 7
Production Method 8
Production Method 9
1.2 20 min, -30 °C
1.3 Reagents: Triethylamine ; -30 °C; 20 min, -30 °C → rt
Production Method 10
Production Method 11
Production Method 12
Production Method 13
Production Method 14
Production Method 15
Production Method 16
1.2 Reagents: Hydrochloric acid Solvents: Water ; rt
Production Method 17
Production Method 18
Production Method 19
Production Method 20
1.2 Reagents: Sodium hydroxide Solvents: Water
beta-Ionone, synthetic Raw materials
- 1,3-Dioxolane,2-methyl-2-[(1E)-2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-
- Methanesulfonic acid, trifluoro-, 2,6,6-trimethyl-1-cyclohexen-1-yl ester
- Methyllithium (1.6M in Diethyl Ether)
- (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
- 5,9-Undecadien-2-one, 4-hydroxy-6,10-dimethyl-, (5Z)-
- 3,5,10-Undecatrien-2-one, 6,10-dimethyl-, (3E,5E)-
- a-Ionone (>90%)
- 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
- (2E)-3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-2-enoic acid
- Hydrazinecarboxamide,2-[1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propen-1-ylidene]-
- 3,5,9-Undecatrien-2-one,6,10-dimethyl-
- 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
- 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)-
- 2-Propenamide,N-methoxy-N-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
beta-Ionone, synthetic Preparation Products
beta-Ionone, synthetic Suppliers
beta-Ionone, synthetic Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Sesquiterpenoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids
- Natural Products and Extracts Plant Extracts Plant based Rhanterium epapposum
- Natural Products and Extracts Plant Extracts Plant based Erucaria microcarpa
- Sesquiterpenoids
Additional information on beta-Ionone, synthetic
Comprehensive Guide to beta-Ionone, synthetic (CAS No. 79-77-6): Properties, Applications, and Industry Trends
beta-Ionone, synthetic (CAS No. 79-77-6) is a highly versatile organic compound widely recognized for its floral, woody, and violet-like aroma. As a key ingredient in the fragrance and flavor industries, this molecule has garnered significant attention due to its unique sensory properties and broad applicability. The compound’s chemical structure, characterized by a cyclic ketone with an unsaturated side chain, contributes to its distinct olfactory profile, making it indispensable in perfumery and food flavoring.
In recent years, the demand for synthetic beta-Ionone has surged, driven by trends in clean-label fragrances and sustainable sourcing. Consumers are increasingly seeking transparency in ingredient lists, prompting manufacturers to explore high-purity synthetic alternatives like CAS 79-77-6 to meet regulatory and ethical standards. This shift aligns with the growing popularity of vegan cosmetics and eco-friendly formulations, where synthetic compounds often outperform natural extracts in consistency and scalability.
The synthesis of beta-Ionone typically involves the condensation of citral with acetone, followed by cyclization—a process refined to achieve high yields and minimal impurities. Advanced chromatographic techniques ensure the final product meets stringent quality benchmarks, particularly for use in premium perfumes and gourmet flavorings. Researchers have also explored enzymatic pathways to produce beta-Ionone, addressing the industry’s push toward green chemistry and reduced carbon footprints.
Beyond its traditional roles, beta-Ionone (CAS 79-77-6) is gaining traction in niche markets such as functional fragrances for aromatherapy and mood-enhancing products. Studies suggest its olfactory properties may influence emotional well-being, a topic frequently searched in connection with psychoactive scents and holistic wellness. This intersection of science and sensory experience positions synthetic beta-Ionone as a compound of interest for innovators in personal care and therapeutic applications.
From an industrial perspective, the supply chain for CAS 79-77-6 remains robust, with major producers focusing on GMP-certified manufacturing to cater to pharmaceutical and food-grade applications. Regulatory bodies like the FDA and EFSA have evaluated its safety, further solidifying its status as a preferred choice for food additives and cosmetic preservatives. However, ongoing research into allergenicity and biodegradability reflects the industry’s commitment to addressing consumer concerns about synthetic vs. natural ingredients.
In conclusion, beta-Ionone, synthetic (CAS No. 79-77-6) exemplifies the synergy between chemistry and consumer needs. Its adaptability across fragrances, flavors, and emerging wellness markets underscores its enduring relevance. As sustainability and transparency dominate industry dialogues, this compound’s synthetic versatility ensures it will remain a cornerstone of modern formulation science.
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