Cas no 105-08-8 (1,4-Cyclohexanedimethanol)
1,4-Cyclohexanedimethanol Chemical and Physical Properties
Names and Identifiers
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- 1,4-Cyclohexanedimethanol, mixture of cisand trans
- 1,4-Bis(hydroxymethyl)cyclohexane
- CHDM
- cyclohex-1,4-ylenedimethanol
- 1,4-Cyclohexane dimethanol
- 1,4-Cyclohexanedimethanol (cis- and trans- mixture)
- 1,4-Cyclohexanedimethanol, mixture of (cis) and trans
- 1.4-Cyclohexanedimethanol
- C8H16O2
- Cyclohexane-1,4-dimethanol
- 1,4-bis-hydroxymethylcyclohexane
- 1,4-Chidm
- 1,4-Cyclohexandimethanol
- 1,4-Cyclohexanebismethanol
- 1,4-Cyclohexanedimet
- 1,4-di(hydroxymethyl)cyclohexane
- 1,4-DIMETHYLOLCYCLOHEXANE
- rikabinoldm
- α,α'-Dihydroxy-1,4-dimethylcyclohexane
- 1,4-Bis(hydroxymethyl)cyclohexane (cis- and trans- mixture)
- α,α'-Dihydroxy-1,4-dimethylcyclohexane (cis- and trans- mixture)
- 4-Cyclohexanedimethanol
- 1,4-cyclohexanedimethano
- 1,4-CHDM
- 1,4-CYCLOHEXANEDIMETHANOL
- 1,4-Cyclohexanedimethanol, mixture of cis and trans
- 1,4-Cyclohexanedimethanol
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- MDL: MFCD00001512
- Inchi: 1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2
- InChI Key: YIMQCDZDWXUDCA-UHFFFAOYSA-N
- SMILES: C1CC(CCC1CO)CO
- BRN: 1902271
Computed Properties
- Exact Mass: 144.11500
- Monoisotopic Mass: 144.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 73.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 40.5
Experimental Properties
- Color/Form: White waxy solid.
- Density: 1,04 g/cm3
- Melting Point: 31.5 oC
- Boiling Point: 162°C/9.8mmHg
- Flash Point: Fahrenheit: 321.8 ° f < br / > Celsius: 161 ° C < br / >
- Refractive Index: 1.4240 (estimate)
- PH: 4.2 (250g/l, H2O, 20℃)
- Solubility: >34g/l soluble
- Water Partition Coefficient: miscible
- PSA: 40.46000
- LogP: 0.77740
- Solubility: It is miscible with water and alcohol, soluble in ketones, and almost insoluble in aliphatic hydrocarbons and diethyl ether.
1,4-Cyclohexanedimethanol Security Information
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Symbol:
- Signal Word:Warning
- Hazard Statement: H319
- Warning Statement: P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:1
- Hazard Category Code: 41
- Safety Instruction: S22-S24/25-S39-S26
- RTECS:GU9800000
-
Hazardous Material Identification:
- TSCA:Yes
- Risk Phrases:R36
- Safety Term:S26;S39
- Storage Condition:Store below +30°C.
1,4-Cyclohexanedimethanol Customs Data
- HS CODE:2906199090
- Customs Data:
China Customs Code:
2906199090Overview:
2906199090. Other naphthenic alcohols,Cycloenol and cycloterpenol. 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
Summary:
2906199090. cyclanic, cyclenic or cyclotherpenic alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
1,4-Cyclohexanedimethanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C0479-500g |
1,4-Cyclohexanedimethanol |
105-08-8 | 99.0%(GC),cis- and trans- mixture | 500g |
¥350.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C0479-25g |
1,4-Cyclohexanedimethanol |
105-08-8 | 99.0%(GC),cis- and trans- mixture | 25g |
¥140.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | CY180-100g |
1,4-Cyclohexanedimethanol |
105-08-8 | 99% | 100g |
¥90.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | CY180-25g |
1,4-Cyclohexanedimethanol |
105-08-8 | 99% | 25g |
¥60.0 | 2022-06-10 | |
| Apollo Scientific | OR936250-100g |
1,4-Cyclohexanedimethanol |
105-08-8 | 95% | 100g |
£31.00 | 2025-02-20 | |
| Apollo Scientific | OR936250-500g |
1,4-Cyclohexanedimethanol |
105-08-8 | 95% | 500g |
£116.00 | 2025-02-20 | |
| Apollo Scientific | OR936250-1Kg |
1,4-Cyclohexanedimethanol |
105-08-8 | 95% | 1kg |
£194.00 | 2025-03-07 | |
| Chemenu | CM201640-10kg |
1,4-Cyclohexanedimethanol |
105-08-8 | 95% | 10kg |
$277 | 2023-03-07 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R013959-100g |
1,4-Cyclohexanedimethanol |
105-08-8 | 99% | 100g |
¥33 | 2023-09-11 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R013959-500g |
1,4-Cyclohexanedimethanol |
105-08-8 | 99% | 500g |
¥60 | 2023-09-11 |
1,4-Cyclohexanedimethanol Suppliers
1,4-Cyclohexanedimethanol Related Literature
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Thomas Lohmeier,Michael Bredol,Eduard Schreiner,Horst Hintze-Bruening Soft Matter 2014 10 6237
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Mário T. S. Rosado,Teresa M. R. Maria,Ricardo A. E. Castro,Jo?o Canotilho,Manuela Ramos Silva,M. Ermelinda S. Eusébio CrystEngComm 2014 16 10977
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Jens C. Markwart,Alexander Battig,Tobias Urbaniak,Katharina Haag,Katharina Koschek,Bernhard Schartel,Frederik R. Wurm Polym. Chem. 2020 11 4933
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Farzad Seidi,Yajie Zhong,Huining Xiao,Yongcan Jin,Daniel Crespy Chem. Soc. Rev. 2022 51 6652
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Tingting Chen,Guodong Jiang,Guoyu Li,Zhipeng Wu,Jun Zhang RSC Adv. 2015 5 60570
Additional information on 1,4-Cyclohexanedimethanol
Professional Introduction to 1,4-Cyclohexanedimethanol (CAS No. 105-08-8)
1,4-Cyclohexanedimethanol, chemically designated as (2R,3S)-2,4-cyclohexanediol, is a significant compound in the realm of organic chemistry and pharmaceutical synthesis. With the CAS number 105-08-8, this bicyclic alcohol has garnered attention for its versatile applications in industrial and medicinal chemistry. Its unique structural framework, featuring two hydroxyl groups positioned at the 1 and 4 positions of a cyclohexane ring, imparts distinct chemical properties that make it a valuable intermediate in the production of polymers, resins, and pharmaceuticals.
The compound’s molecular formula, C?H??O?, reflects its composition of six carbon atoms, twelve hydrogen atoms, and two oxygen atoms. This arrangement contributes to its reactivity, allowing it to participate in various chemical reactions such as esterification, etherification, and oxidation. The presence of two stereocenters at the 2 and 3 positions of the cyclohexane ring results in the formation of two enantiomers, which can exhibit different biological activities. This stereochemical diversity has been a focal point in recent research aimed at developing enantioselective catalysts and chiral drugs.
In the pharmaceutical industry, 1,4-Cyclohexanedimethanol serves as a crucial precursor in the synthesis of several active pharmaceutical ingredients (APIs). Its diol functionality allows for the introduction of various pharmacophores through further functionalization. For instance, derivatives of this compound have been explored as intermediates in the production of non-steroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents. The ability to modify its structure enables chemists to fine-tune the pharmacokinetic and pharmacodynamic properties of these drugs, enhancing their efficacy and reducing side effects.
Recent advancements in green chemistry have highlighted the importance of sustainable synthetic routes for 1,4-Cyclohexanedimethanol. Researchers have been investigating biocatalytic methods to produce this compound with higher yields and lower environmental impact. Enzymes such as cytochrome P450 monooxygenases have been employed to selectively oxidize cyclohexane derivatives into diols under mild conditions. These biocatalytic processes align with the growing demand for eco-friendly chemical manufacturing practices.
The polymer industry also benefits from the use of 1,4-Cyclohexanedimethanol as a monomer or chain extender in the production of polyesters and polyamides. Its bifunctional nature allows it to participate in polycondensation reactions, resulting in polymers with desirable mechanical and thermal properties. For example, polyethylene terephthalate (PET) can be modified by incorporating 1,4-Cyclohexanedimethanol into its backbone, improving its flexibility and biodegradability. Such modifications are particularly relevant in the context of developing sustainable packaging materials that reduce reliance on petroleum-based polymers.
Moreover, 1,4-Cyclohexanedimethanol has found applications in agrochemicals as a precursor for herbicides and fungicides. Its structural motif is compatible with various functional groups that enhance biological activity against pests and pathogens. By leveraging computational chemistry techniques such as molecular docking and quantum mechanical calculations, researchers can predict how different derivatives of this compound will interact with biological targets. This approach accelerates the discovery process for novel agrochemicals with improved performance.
The material science sector has also explored 1,4-Cyclohexanedimethanol for its potential in creating advanced materials with tailored properties. For instance, its incorporation into epoxy resins enhances their thermal stability and mechanical strength. Additionally, researchers have investigated its use in designing shape-memory polymers that can revert to predefined shapes upon exposure to external stimuli such as heat or light. These innovations underscore the compound’s versatility beyond traditional applications.
In conclusion,1,4-Cyclohexanedimethanol (CAS No. 105-08-8) is a multifaceted compound with broad utility across multiple industries. Its role as a synthetic intermediate in pharmaceuticals, polymers, agrochemicals, and advanced materials underscores its importance in modern chemistry. As research continues to uncover new applications and sustainable production methods for this compound,1,4-Cyclohexanedimethanol is poised to remain a cornerstone of innovation in both academic and industrial settings.
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