Cas no 13475-82-6 (2,2,4,6,6-Pentamethylheptane)
2,2,4,6,6-Pentamethylheptane Chemical and Physical Properties
Names and Identifiers
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- 1.1-Dineopentyl-aethan
- 2,2,4,4,6,6-Pentamethylheptan
- 2,2,4,5,5-PENTAMETHYL-3-IMIDAZOLINE-3-OXIDE FREE RADICAL
- 2,2,4,6,6-Pentamethyl-heptan
- 2,2,4,6,6-pentamethyl-heptane
- 2,2,4,6,6-Pentamethylheptane1000μg
- Heptane,2,2,4,6,6-pentamethyl
- UNII-A8289P68Y2
- VKPSKYDESGTTFR-UHFFFAOYSA
- ISODODECAN
- Permethyl 99A
- 2,2,4,6,6-PENTAMETHYLHEPTANE
- Heptane, 2,2,4,6,6-pentamethyl-
- 2,2,4,6,6-PENTAMETHYLHEPTANE 98+%
- VKPSKYDESGTTFR-UHFFFAOYSA-N
- Heptane,2,2,4,6,6-pentamethyl-
- A8289P68Y2
- Dodecane, mixture of isomers
- VKPSKYDESGTTFR-UHFFFAOYSA-
- Y1189
- P0047
- 2,2,4,6,6-Pentamethylheptane
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- MDL: MFCD00026334
- Inchi: 1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
- InChI Key: VKPSKYDESGTTFR-UHFFFAOYSA-N
- SMILES: C(C)(CC(C)(C)C)CC(C)(C)C
Computed Properties
- Exact Mass: 170.20300
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 104
- 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: nothing
- XLogP3: 5.6
- Topological Polar Surface Area: 0
Experimental Properties
- Color/Form: Not determined
- Density: 0,75 g/cm3
- Melting Point: -67°C
- Boiling Point: 180°C
- Flash Point: 37°C
- Refractive Index: n20/D 1.419
- Stability/Shelf Life: Stable. Incompatible with oxidizing agents. Flammable.
- PSA: 0.00000
- LogP: 4.49490
- Solubility: Not determined
2,2,4,6,6-Pentamethylheptane Security Information
-
Symbol:
- Prompt:dangerous
- Hazard Statement: H226-H304
- Warning Statement: P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501
- Hazardous Material transportation number:UN 2286 3/PG 3
- WGK Germany:3
- Hazard Category Code: 10-65
- Safety Instruction: S62-S24/25-S23
-
Hazardous Material Identification:
- Risk Phrases:R10
- HazardClass:3
- PackingGroup:III
2,2,4,6,6-Pentamethylheptane Customs Data
- HS CODE:2901100000
- Customs Data:
China Customs Code:
2901100000Overview:
2901100000 Saturated acyclic hydrocarbon.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The volume of packaging container used as gaseous fuel shall be reported, Bulk cargo shall be reported
Summary:
2901100000 saturated acyclic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%
2,2,4,6,6-Pentamethylheptane Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 005384-1g |
2,2,4,6,6-Pentamethylheptane |
13475-82-6 | 1g |
£14.00 | 2022-02-28 | ||
| Fluorochem | 005384-5g |
2,2,4,6,6-Pentamethylheptane |
13475-82-6 | 5g |
£60.00 | 2022-02-28 | ||
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | P0047-25ML |
2,2,4,6,6-Pentamethylheptane |
13475-82-6 | >98.0%(GC) | 25ml |
¥1435.00 | 2024-04-17 | |
| TRC | P227225-1mL |
2,2,4,6,6-Pentamethylheptane |
13475-82-6 | 1ml |
$ 58.00 | 2023-09-06 | ||
| TRC | P227225-2.5mL |
2,2,4,6,6-Pentamethylheptane |
13475-82-6 | 2.5ml |
$ 109.00 | 2023-09-06 | ||
| TRC | P227225-5mL |
2,2,4,6,6-Pentamethylheptane |
13475-82-6 | 5ml |
$ 167.00 | 2023-09-06 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | P0047-5ml |
2,2,4,6,6-Pentamethylheptane |
13475-82-6 | 98.0%(GC) | 5ml |
¥465.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | P0047-25ml |
2,2,4,6,6-Pentamethylheptane |
13475-82-6 | 98.0%(GC) | 25ml |
¥1325.0 | 2022-06-10 | |
| abcr | AB140215-5 ml |
2,2,4,6,6-Pentamethylheptane, 98%; . |
13475-82-6 | 98% | 5 ml |
€83.60 | 2024-04-19 | |
| abcr | AB140215-25 ml |
2,2,4,6,6-Pentamethylheptane, 98%; . |
13475-82-6 | 98% | 25 ml |
€217.80 | 2024-04-19 |
2,2,4,6,6-Pentamethylheptane Suppliers
2,2,4,6,6-Pentamethylheptane Related Literature
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1. Chemistry of the SO bond. Part 11. trans,trans-4,6-Di-t-butyl-trans-5-methyl-1,3,2-dioxathiane 2-oxide and cis,cis-4,6-di-t-butyl-cis-5-methyl-1,3,2-dioxathiane 2-oxide, synthesis and crystal structure determinationBen Bracke,Albert T. H. Lenstra,Herman J. Geise,Desmond G. Hellier J. Chem. Soc. Perkin Trans. 2 1989 919
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Yao Xu,Xia Zhou,Dayong Zhang,Zelun Lan,Yun Zhang,Jun Wan Anal. Methods 2016 8 1699
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3. The synthesis and reactions of branched-chain hydrocarbons. Part V. Oxidation of 2 : 2 : 4-trimethylpentane and of 2 : 2 : 4 : 6 : 6-pentamethylheptane by chromic oxideD. P. Archer,W. J. Hickinbottom J. Chem. Soc. 1954 4197
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4. Excess volumes of mixtures of tetrabutyltin with branched and linear alkanesGeneviève Delmas,Pierre de Saint-Romain,Patricia Purves J. Chem. Soc. Faraday Trans. 1 1975 71 1181
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5. 449. Reactions of unsaturated compounds. Part XIV. The oxidation of 2 : 2 : 4 : 6 : 6-pentamethylhept-3-eneM. A. Davis,W. J. Hickinbottom J. Chem. Soc. 1958 2205
Additional information on 2,2,4,6,6-Pentamethylheptane
Introduction to 2,2,4,6,6-Pentamethylheptane (CAS No. 13475-82-6)
2,2,4,6,6-Pentamethylheptane, identified by its Chemical Abstracts Service (CAS) number 13475-82-6, is a highly branched alkane that has garnered significant attention in the field of organic chemistry and materials science due to its unique structural and thermal properties. This compound belongs to the family of neopentane derivatives, characterized by its five methyl groups attached to a heptane backbone, which imparts exceptional stability and low reactivity. The molecular structure of 2,2,4,6,6-Pentamethylheptane (CAS No. 13475-82-6) consists of a central carbon atom bonded to four methyl groups and two additional carbon atoms, each of which is further substituted with two methyl groups. This highly symmetrical arrangement results in a compact and rigid molecular framework, making it an attractive candidate for various industrial and research applications.
The compound’s high symmetry and low polarizability contribute to its remarkable thermal stability and resistance to chemical degradation. These properties make it particularly useful in applications where high temperatures and inert conditions are required. For instance, 2,2,4,6,6-Pentamethylheptane (CAS No. 13475-82-6) has been explored as a reference material in gas chromatography due to its well-defined boiling point and predictable retention time on various stationary phases. Its use as an internal standard helps ensure the accuracy and reproducibility of analytical methods in environmental monitoring and petrochemical analysis.
In recent years, the interest in 2,2,4,6,6-Pentamethylheptane (CAS No. 13475-82-6) has expanded into the realm of materials science. Researchers have investigated its potential as a component in high-performance lubricants and thermal fluids. The compound’s ability to maintain structural integrity at elevated temperatures makes it an ideal candidate for applications where traditional lubricants may fail. Additionally, its low volatility and non-polar nature suggest suitability for use in specialized coatings that require resistance to environmental degradation.
One of the most intriguing aspects of 2,2,4,6,6-Pentamethylheptane (CAS No. 13475-82-6) is its role in polymer chemistry. The compound’s branched structure can act as a chain transfer agent in free-radical polymerization reactions. By incorporating it into the reaction mixture, chemists can control the molecular weight and distribution of polymers more precisely. This has led to studies exploring its use in producing polymers with tailored mechanical properties for applications such as adhesives, coatings, and specialty plastics.
The synthesis of 2,2,4,6,6-Pentamethylheptane (CAS No. 13475-82-6) typically involves catalytic cracking or isomerization processes that convert larger alkanes into more branched structures. Advances in catalytic technology have improved the efficiency of these processes, making it more feasible to produce this compound on an industrial scale. Recent research has also focused on greener synthesis methods that minimize energy consumption and waste generation.
From an environmental perspective, 2 , 2 , 4 , 6 , 6 - Pentamethylheptane ( CAS No . 1 3 4 7 5 - 8 2 - 6 ) exhibits low toxicity and biodegradability compared to many other branched alkanes used industrially . This makes it a promising alternative for applications where environmental impact is a concern .
In conclusion, 2 , 2 , 4 , 6 , 6 - Pentamethylheptane ( CAS No . 1 3 4 7 5 - 8 2 - ) is a versatile compound with significant potential across multiple industries . Its unique structural properties make it valuable in analytical chemistry、materials science、and polymer manufacturing。As research continues,the applications of this compound are likely to expand,further solidifying its importance in modern chemistry。
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