- From DNA to catalysis: a thymine-acetate ligated non-heme iron(III) catalyst for oxidative activation of aliphatic C-H bondsAl-hunaiti, Afnan; Raisanen, Minna; Repo, Timo, Chemical Communications (Cambridge, 2016, 52(10), 2043-2046
Cas no 4255-62-3 (4,4-dimethylcyclohexan-1-one)
4,4-Dimethylcyclohexan-1-one is a cyclic ketone characterized by its stable cyclohexane backbone with two methyl groups at the 4-position. This structure imparts steric hindrance, enhancing its stability in synthetic applications. The compound serves as a versatile intermediate in organic synthesis, particularly in the production of fragrances, pharmaceuticals, and specialty chemicals. Its ketone functionality allows for further derivatization, including reductions or condensations, while the dimethyl substitution influences reactivity and selectivity in ring transformations. The compound's well-defined molecular framework and predictable reactivity make it valuable for research and industrial processes requiring precise control over stereochemistry and functional group manipulation.
4,4-dimethylcyclohexan-1-one structure
Product Name:4,4-dimethylcyclohexan-1-one
CAS No:4255-62-3
MF:C8H14O
MW:126.1962
MDL:MFCD00234965
CID:84977
PubChem ID:24884647
Update Time:2025-10-20
4,4-dimethylcyclohexan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 4,4-Dimethylcyclohexanone
- 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-keto-butyric acid
- 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutanoate
- 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butanoate
- BB_SC-5119
- 4 4-DIMETHYLCYCLOHEXANONE 97
- Cyclohexanone, 4,4-dimethyl-
- 4,4-dimethylcyclohexan-1-one
- 4,4-Dimethyl-1-cyclohexanone
- 4,4-dimethyl-cyclohexan-1-one
- 4 4-dimethylcyclohexanone
- 4,4-dimethycyclohexanone
- 4.4-dimethylcyclohexanone
- 4,4-dimethyl-cyclohexanone
- 4,4-Dimethyl cyclohexanone
- KSC494A0F
- 1,1-Dimethyl-4-oxocyclohexane
- PXQMSTLNSHMSJB-UHFFFAOYSA-N
- BCP07623
- STL554759
- BBL100965
- AKOS005255849
- J-514023
- F9994-0706
- EN300-76125
- CS-W002564
- D4149
- A825939
- CCG-358821
- SY004624
- 4,4-Dimethylcyclohexanone, 97%
- DTXSID30195337
- MFCD00234965
- SB40536
- HY-W002564
- SCHEMBL307642
- 4,4-Dimethylcyclohexanone(Chunks or pellets)
- 4255-62-3
- PS-4069
-
- MDL： MFCD00234965
- Inchi： 1S/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3
- InChI Key： PXQMSTLNSHMSJB-UHFFFAOYSA-N
- SMILES： O=C1C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1([H])[H]
Computed Properties
- Exact Mass: 126.10400
- Monoisotopic Mass: 126.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 113
- 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
- Tautomer Count: 2
- XLogP3: 1.6
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: White solid
- Density: 0.892±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 42.0 to 46.0 deg-C
- Boiling Point: 73°C/14mmHg(lit.)
- Flash Point: 50.1±10.7 oC,
- Refractive Index: 1.46442 (22.45 oC)
- Solubility: Slightly soluble (6.1 g/l) (25 o C),
- Water Partition Coefficient: Insoluble in water.
- PSA: 17.07000
- LogP: 2.15570
- Solubility: Uncertain
4,4-dimethylcyclohexan-1-one Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Danger
- Hazard Statement： H228,H319
- Warning Statement： P210,P305+P35+P338
- Hazardous Material transportation number：UN 1325 4.1/PG 2
- WGK Germany：2
- Hazard Category Code： R11;R36
- Safety Instruction： S16; S26
-
Hazardous Material Identification：
- HazardClass：4.1
- PackingGroup：Ⅱ
- Storage Condition：Sealed in dry,Room Temperature(BD89349)
- Risk Phrases：R11
4,4-dimethylcyclohexan-1-one Customs Data
- HS CODE：2914299000
- Customs Data：
China Customs Code:
2914299000Overview:
2914299000. Other cycloalkanones without other oxygen-containing groups\Cyclic enone or cyclic terpenone. 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, Acetone declared packaging
Summary:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
4,4-dimethylcyclohexan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 077611-1g |
4,4-Dimethylcyclohexanone |
4255-62-3 | 95% | 1g |
￡10.00 | 2022-03-01 | |
| Fluorochem | 077611-5g |
4,4-Dimethylcyclohexanone |
4255-62-3 | 95% | 5g |
￡37.00 | 2022-03-01 | |
| Fluorochem | 077611-10g |
4,4-Dimethylcyclohexanone |
4255-62-3 | 95% | 10g |
￡60.00 | 2022-03-01 | |
| Fluorochem | 077611-25g |
4,4-Dimethylcyclohexanone |
4255-62-3 | 95% | 25g |
￡144.00 | 2022-03-01 | |
| Fluorochem | 077611-100g |
4,4-Dimethylcyclohexanone |
4255-62-3 | 95% | 100g |
￡392.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D120758-1g |
4,4-dimethylcyclohexan-1-one |
4255-62-3 | 98% | 1g |
￥32.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D120758-250mg |
4,4-dimethylcyclohexan-1-one |
4255-62-3 | 98% | 250mg |
￥29.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D120758-25g |
4,4-dimethylcyclohexan-1-one |
4255-62-3 | 98% | 25g |
￥465.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D120758-5g |
4,4-dimethylcyclohexan-1-one |
4255-62-3 | 98% | 5g |
￥111.90 | 2023-09-03 | |
| Chemenu | CM202356-25g |
4,4-Dimethylcyclohexanone |
4255-62-3 | 98% | 25g |
$128 | 2021-06-15 |
4,4-dimethylcyclohexan-1-one Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Hydrogen peroxide Catalysts: Iron (thymine-1-acetic acid complex) Solvents: Acetonitrile ; 10 h, 60 °C
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Ceric ammonium nitrate Catalysts: (OC-6-43)-[Octahydro-1,4-dimethyl-7-[(2-pyridinyl-κN)methyl]-1H-1,4,7-triazonine… Solvents: Acetonitrile , Water ; 30 min, 0 °C; 30 min, 0 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water ; 0 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water ; 0 °C
Reference
- Iron-Catalyzed C-H Hydroxylation and Olefin cis-Dihydroxylation Using a Single-Electron Oxidant and Water as the Oxygen-Atom SourceGarcia-Bosch, Isaac; Codola, Zoel; Prat, Irene; Ribas, Xavi; Lloret-Fillol, Julio; et al, Chemistry - A European Journal, 2012, 18(42), 13269-13273
4,4-dimethylcyclohexan-1-one Preparation Products
4,4-dimethylcyclohexan-1-one Suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
(CAS:4255-62-3)4,4-dimethylcyclohexan-1-one
Order Number:A934876
Stock Status:in Stock
Quantity:250.0g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:16
Price ($):266.0
Email:[email protected]
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
(CAS:4255-62-3)4,4-二甲基環(huán)己酮
Order Number:LE26829489;LE7364
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:59
Price ($):discuss personally
Email:[email protected]
4,4-dimethylcyclohexan-1-one Related Literature
-
1. Preparation and properties of a series of alkyl-4,4-dimethylcyclohexa-2,5-dienones, and related cyclohexenones and cyclohexanonesKenneth L. Cook,Anthony J. Waring J. Chem. Soc. Perkin Trans. 1 1973 529
-
Rajendra Maity,Subhas Chandra Pan Org. Biomol. Chem. 2017 15 8032
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Cheng Li,Yanjun Xie,Fuhong Xiao,Huawen Huang,Guo-Jun Deng Chem. Commun. 2019 55 4079
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4. 683. Investigations on the synthesis of 2-acetylcyclohex-2-enone. Part II. Some related experiments, and the constitution of the dimeric product, C16H20O4C. W. T. Hussey,A. R. Pinder J. Chem. Soc. 1961 3525
-
Yogesh Kumar,Prabhpreet Singh,Gaurav Bhargava RSC Adv. 2016 6 99220
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Recommended suppliers
Amadis Chemical Company Limited
(CAS:4255-62-3)4,4-dimethylcyclohexan-1-one
Purity:99%
Quantity:250.0g
Price ($):266.0
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:4255-62-3)4,4-二甲基環(huán)己酮
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry