Cas no 68039-49-6 (2,4-Dimethyl-3-cyclohexenecarboxaldehyde)
2,4-Dimethyl-3-cyclohexenecarboxaldehyde Chemical and Physical Properties
Names and Identifiers
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- Ligustral
- 2,4-Dimethyl-3-cyclohexene-1-carboxaldehyde
- Acroval
- Hivertal
- Triplal
- Vertocitral
- 2,4-Dimethyl-3-Cyclohexenecarboxaldehyde
- 2,4-dimethylcyclohex-3-ene-1-carbaldehyde
- 2,4-dimethylcyclohex-3-enecarbaldehyde
- 2,4-Dimethyl-3-cyclohexenecarboxaldehyde
-
- MDL： MFCD00169841
- Inchi： InChI=1S/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3
- InChI Key： MZZRKEIUNOYYDF-UHFFFAOYSA-N
- SMILES： CC1=CC(C)C(CC1)C=O
Computed Properties
- Exact Mass: 138.10400
- Monoisotopic Mass: 138.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- Color/Form: Colorless or very yellowish liquid
- Density: 0.933
- Boiling Point: 196 oC
- Flash Point: 66 oC
- Refractive Index: 1.473
- PSA: 17.07000
- LogP: 2.17770
2,4-Dimethyl-3-cyclohexenecarboxaldehyde Security Information
- Signal Word：Warning
- Hazard Statement： H227
- Warning Statement： P210; P280; P370+P378; P403+P235; P501
- Hazardous Material transportation number：NA 1993 / PGIII
- WGK Germany：2
- Storage Condition：Store at room temperature
2,4-Dimethyl-3-cyclohexenecarboxaldehyde Customs Data
- HS CODE：2912299000
- Customs Data：
China Customs Code:
2912299000Overview:
2912299000. Other cyclic aldehydes without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Appearance of tetraformaldehyde
Summary:
2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
2,4-Dimethyl-3-cyclohexenecarboxaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D5743-100G |
2,4-Dimethyl-3-cyclohexene-1-carboxaldehyde (mixture of isomers) |
68039-49-6 | 98.0%(GC) | 100G |
￥1250.0 | 2022-09-28 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | D5743-25G |
2,4-Dimethyl-3-cyclohexene-1-carboxaldehyde (mixture of isomers) |
68039-49-6 | 98.0%(GC) | 25G |
￥390.0 | 2022-09-28 | |
| TRC | D266075-500mg |
2,4-Dimethyl-3-cyclohexenecarboxaldehyde |
68039-49-6 | 500mg |
$64.00 | 2023-05-18 | ||
| TRC | D266075-1g |
2,4-Dimethyl-3-cyclohexenecarboxaldehyde |
68039-49-6 | 1g |
$ 55.00 | 2022-06-05 | ||
| TRC | D266075-5g |
2,4-Dimethyl-3-cyclohexenecarboxaldehyde |
68039-49-6 | 5g |
$98.00 | 2023-05-18 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D860173-25g |
2,4-Dimethyl-3-Cyclohexenecarboxaldehyde |
68039-49-6 | ≥98% | 25g |
360.90 | 2021-05-17 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | D5743-25G |
2,4-Dimethyl-3-cyclohexene-1-carboxaldehyde (mixture of isomers) |
68039-49-6 | >98.0%(GC) | 25g |
￥100.00 | 2024-04-16 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | D5743-100G |
2,4-Dimethyl-3-cyclohexene-1-carboxaldehyde (mixture of isomers) |
68039-49-6 | >98.0%(GC) | 100g |
￥230.00 | 2024-04-16 | |
| abcr | AB336840-25 g |
2,4-Dimethyl-3-cyclohexenecarboxaldehyde, 98%; . |
68039-49-6 | 98% | 25g |
€68.40 | 2022-03-25 | |
| abcr | AB336840-100 g |
2,4-Dimethyl-3-cyclohexenecarboxaldehyde, 98%; . |
68039-49-6 | 98% | 100g |
€166.90 | 2022-03-25 |
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2,4-Dimethyl-3-cyclohexenecarboxaldehyde Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
Additional information on 2,4-Dimethyl-3-cyclohexenecarboxaldehyde
2,4-Dimethyl-3-cyclohexenecarboxaldehyde (CAS 68039-49-6): A Versatile Flavor and Fragrance Compound
2,4-Dimethyl-3-cyclohexenecarboxaldehyde (CAS 68039-49-6) is an important cyclic terpene aldehyde widely used in the flavor and fragrance industry. This compound, sometimes referred to as cyclohexenecarboxaldehyde derivative, possesses a unique woody-citrus aroma profile that makes it valuable for creating sophisticated scent compositions.
The molecular structure of 2,4-dimethyl-3-cyclohexenecarboxaldehyde features a six-membered cyclohexene ring with two methyl groups at positions 2 and 4, and an aldehyde functional group at position 1. This specific arrangement contributes to its distinctive olfactory properties and chemical stability, making it a preferred choice for perfumers and flavorists.
Recent trends in the fragrance industry show growing interest in sustainable aroma chemicals, and 2,4-dimethyl-3-cyclohexenecarboxaldehyde aligns well with this movement. Its relatively simple structure allows for potential bio-based production through green chemistry approaches, answering consumer demands for eco-friendly ingredients in personal care products.
In practical applications, this compound serves as a key building block for creating complex perfume accords. It's particularly valued for its ability to impart fresh top notes with citrusy undertones, often used in men's colognes, air fresheners, and household cleaning products. The fragrance industry frequently searches for long-lasting aldehydes like this one to enhance product performance.
The flavor industry also utilizes 2,4-dimethyl-3-cyclohexenecarboxaldehyde as a flavor modifier, especially in citrus-flavored products. Its ability to provide natural-tasting notes at low concentrations makes it valuable for beverage formulations and confectionery products. With increasing consumer preference for clean-label ingredients, this compound's role in natural flavor enhancement becomes more significant.
From a chemical synthesis perspective, 2,4-dimethyl-3-cyclohexenecarboxaldehyde can be produced through several routes, including Diels-Alder reactions followed by oxidation. The compound's relatively simple structure and commercial availability make it accessible for both industrial-scale production and research applications.
In the context of market dynamics, the demand for specialty aroma chemicals like 2,4-dimethyl-3-cyclohexenecarboxaldehyde continues to grow. The global flavor and fragrance market is projected to expand significantly, driven by increasing consumer spending on premium personal care products and home fragrance solutions. This compound's versatility positions it well within this expanding market.
Quality control for 2,4-dimethyl-3-cyclohexenecarboxaldehyde typically involves gas chromatography analysis to ensure purity standards and consistent olfactory properties. The compound's physical characteristics, including its boiling point and refractive index, are well-documented and serve as important parameters for industrial applications.
Recent innovations in delivery systems for fragrance compounds have increased the utility of 2,4-dimethyl-3-cyclohexenecarboxaldehyde. Microencapsulation technologies allow for controlled release of this aldehyde, enhancing its performance in fabric care products and long-lasting air fresheners - two rapidly growing segments in the household products market.
The regulatory status of 2,4-dimethyl-3-cyclohexenecarboxaldehyde is favorable for most applications, as it complies with major international fragrance standards. Its safety profile has been evaluated by organizations such as IFRA (International Fragrance Association), making it a reliable choice for formulators seeking compliant ingredients.
Looking toward future applications, researchers are exploring the potential of 2,4-dimethyl-3-cyclohexenecarboxaldehyde in functional fragrances - scents designed to provide additional benefits beyond aroma. This aligns with current consumer interest in multifunctional products and sensory wellness solutions.
In conclusion, 2,4-dimethyl-3-cyclohexenecarboxaldehyde (CAS 68039-49-6) represents an important specialty chemical in the flavor and fragrance industry. Its unique organoleptic properties, versatile applications, and alignment with current market trends ensure its continued relevance. As consumer preferences evolve toward more sophisticated scent experiences and sustainable ingredients, this compound is well-positioned to meet these demands.
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