2,2-Dimethylbutane
- CAS No.
- 75-83-2
- Chemical Name:
- 2,2-Dimethylbutane
- Synonyms
- NEOHEXANE;Trimethylpropane;neobutan;NEOBUTANE;(CH3)3CCH2CH3;2.2-DiMethylbu;tert-Butylethane;2-Ethylisobutane;2,2-dimethyl-butan;3,3-DIMETHYLBUTANE
- CBNumber:
- CB7280708
- Molecular Formula:
- C6H14
Lewis structure
- Molecular Weight:
- 86.18
- MDL Number:
- MFCD00009321
- MOL File:
- 75-83-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | −100 °C(lit.) |
|---|---|
| Boiling point | 50 °C(lit.) |
| Density | 0.649 g/mL at 25 °C(lit.) |
| vapor density | 2.97 (vs air) |
| vapor pressure | 5.35 psi ( 20 °C) |
| refractive index |
n |
| Flash point | <−30 °F |
| storage temp. | Flammables area |
| solubility | In methanol: 590 and 800 g/L at 5 and 10 °C, respectively. Miscible at higher temperatures (Kiser et al., 1961). Miscible with other aliphatic hydrocarbons, e.g., pentane, hexane, heptane, etc. |
| form | Liquid |
| pka | >14 (Schwarzenbach et al., 1993) |
| color | Clear colorless to slightly yellow |
| Odor Threshold | 20ppm |
| explosive limit | ~7.7% |
| Water Solubility | insoluble |
| Thermal Conductivity | 0.0934 W/(m·K) at 25 ℃ |
| Specific Heat Capacity | Cp(liquid): 2.23 J/(g·K), at 25℃ |
| BRN | 1730736 |
| Henry's Law Constant | 1.69(atmm3/mol) at 25 °C (Mackay and Shiu, 1981) |
| Dielectric constant | 1.8700000000000001 |
| Exposure limits | ACGIH TLV: TWA and STEL for all isomers except n-hexane are 500 and 1,000 ppm, respectively (adopted). |
| Stability | Stable, but may be moisture sensitive. Highly flammable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3 |
| InChIKey | HNRMPXKDFBEGFZ-UHFFFAOYSA-N |
| SMILES | CCC(C)(C)C |
| Surface tension | 16.23mN/m at 293.15K |
| CAS DataBase Reference | 75-83-2(CAS DataBase Reference) |
| FDA UNII | 07L56L3MP2 |
| NIST Chemistry Reference | Butane, 2,2-dimethyl-(75-83-2) |
| EPA Substance Registry System | 2,2-Dimethylbutane (75-83-2) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |     GHS02,GHS07,GHS08,GHS09 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H315-H336-H304-H411-H225 | |||||||||
| Precautionary statements | P501-P273-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405 | |||||||||
| target organs | Central nervous system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves | |||||||||
| Hazard Codes | F,Xn,N | |||||||||
| Risk Statements | 11-38-51/53-65-67 | |||||||||
| Safety Statements | 9-16-29-33-61-62 | |||||||||
| RIDADR | UN 1208 3/PG 2 | |||||||||
| OEB | A | |||||||||
| OEL | TWA: 100.0 ppm; 350.0 mg/m3, STEL: 510.0 ppm; 1800.0 mg/m3 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | EJ9300000 | |||||||||
| Autoignition Temperature | 797 °F | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29011000 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Aquatic Chronic 2 Asp. Tox. 1 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| Hazardous Substances Data | 75-83-2(Hazardous Substances Data) | |||||||||
| Toxicity | Reported as an impurity (0.2 wt %) in 99.0–99.7 wt % 2,3-dimethylbutane (Chevron Phillips, 2004). | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704 |
|
2,2-Dimethylbutane price More Price(21)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 39730 | 2,2-Dimethylbutane analytical standard | 75-83-2 | 5ml | $81.1 | 2026-04-30 | Buy |
| Sigma-Aldrich | 39730 | 2,2-Dimethylbutane analytical standard | 75-83-2 | 10ml | $153 | 2026-04-30 | Buy |
| TCI Chemical | D0689 | 2,2-Dimethylbutane >97.0%(GC) | 75-83-2 | 25mL | $69 | 2026-04-30 | Buy |
| TCI Chemical | D0689 | 2,2-Dimethylbutane >97.0%(GC) | 75-83-2 | 100mL | $218 | 2026-04-30 | Buy |
| Biosynth | D-3215 | 2,2-Dimethylbutane | 75-83-2 | 25g | $201.25 | 2026-06-04 | Buy |
2,2-Dimethylbutane Chemical Properties, Uses, Production
Chemical Properties
2,2-dimethylbutane is the chain isomeric form of hexane. It is a colorless and flammable liquid with a specific gravity of 0.6444. Insoluble in water, miscible with alcohol, ether, acetone, benzene and petroleum ether. The solubility is similar to that of hexane and 2-methylpentane.
Physical properties
Clear, colorless liquid with a mild petroleum-like odor. Liquid quickly evaporates and forms conbustible fumes. An odor threshold concentration of 20 ppmv was reported by Nagata and Takeuchi (1990).
Uses
2,2-Dimethylbutane is an acyclic alkane. Its Research Octane Number (RON) has been reported to be 91.8. It is used to Component of high-octane motor and aviation fuels, intermediate for agricultural chemicals.
Production Methods
2,2-Dimethylbutane is produced from crude oil, natural liquid gases, and petroleum refining processes.
Application
2,2-Dimethylbutane may be employed as probe to investigate the nature of possible active sites in supported metal catalysts.
Some of the reported applications of 2,2-dimethylbutane include:
Palladium-catalyzed radical oxidative alkoxycarbonylation to prepare various alkyl carboxylates.
Iridium-iron-catalyzed tandem dehydrogenation-isomerization-hydrosilylation to synthesize corresponding silane.
Preparation
2,2-Dimethylbutane can be synthesised by the hydroisomerisation of 2,3-dimethylbutane using an acid catalyst.
By the thermal or catalytic union (alkylation) of ethylene and isobutane, both recovered from refinery gases.
General Description
Colorless liquid with an odor of gasoline. Less dense than water and insoluble in water. Hence floats on water. Irritating vapor. Flash point -54°F.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
2,2-Dimethylbutane may be incompatible with strong oxidizing agents like nitric acid. Charring may occur followed by ignition of unreacted material and other nearby combustibles. In other settings, mostly unreactive. Not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, burns exothermically to produce carbon dioxide and water.
Hazard
Highly flammable, dangerous fire and explosion risk, explosion limits 1.2–7%
Health Hazard
Inhalation causes dizziness, nausea, and vomiting; concentrated vapor may cause unconsciousness and collapse. Contact with liquid causes irritation of eyes; repeated contact may produce irritation of skin. Ingestion causes irritation of stomach. Aspiration causes severe lung irritation, rapidly developing pulmonary edema, and central nervous system excitement followed by depression.
Safety Profile
Probably an irritant and narcotic in high concentration. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidzing materials. Keep away from heat or open flame. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Environmental Fate
Photolytic. Reported photooxidation rate constants for the reaction of 2,2-dimethylbutane with
OH radicals at 297, 299, and 300 K are 2.59 x 10-12, 6.16 x 10-12, and 2.59 x 10-12
cm3/moleculesec, respectively (Atkinson, 1985, 1990).
Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor. 2,2-
Dimethylbutane will not hydrolyze because it has no hydrolyzable functional group.
Purification Methods
Distil it azeotropically with MeOH, then wash it with water, dry (Na2SO4) it, and distil it. [Beilstein 1 IV 367.]
2,2-Dimethylbutane Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Sichuan Kulinan Technology Co., Ltd | 400-1166-196 18981987031 | cdhxsj@163.com | China | 11674 | 57 |
| Sinopharm Chemical Reagent Co,Ltd. | 86-21-63210123 | sj_scrc@sinopharm.com | China | 9791 | 79 |
| Maya High Purity Chemicals | +86 (573) 82222445 (0)18006601000 452520369 | sales@maya-r.com | China | 11693 | 57 |
| Spectrum Chemical Manufacturing Corp. | 021-021-021-67601398-809-809-809 15221380277 | marketing_china@spectrumchemical.com | China | 9643 | 60 |
| Chengdu Ai Keda Chemical Technology Co., Ltd. | 4008-755-333 18080918076 | 800078821@qq.com | China | 9706 | 55 |
| Shanghai civi chemical technology co.,Ltd | 86-21-34053660 | sale@labgogo.com | China | 9853 | 52 |
Related articles
- Uses and Synthesis of 2,2-Dimethylbutane
- 2,2-Dimethylbutane, trivially known as neohexane at William Odling's 1876 suggestion.
- Dec 2,2024
View Latest Price from 2,2-Dimethylbutane manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-02 | 2,2-Dimethylbutane
75-83-2
|
$1.00-100.00 | 1KG | 99% | Henan Fengda Chemical Co., Ltd | ||
 |
2026-05-15 | 2,2-Dimethylbutane
75-83-2
|
$1.10 | 1g | 99.0% Min | 100 Tons | Shaanxi Didu New Materials Co. Ltd | |
 |
2020-01-13 | 2,2-Dimethylbutane
75-83-2
|
$1.00 | 1g | Min98%HPLC | Career Henan Chemical Co |
-
- 2,2-Dimethylbutane
75-83-2
- $1.00-100.00
- 99%
- Henan Fengda Chemical Co., Ltd
-
- 2,2-Dimethylbutane
75-83-2
- $1.10
- 99.0% Min
- Shaanxi Didu New Materials Co. Ltd
-
- 2,2-Dimethylbutane
75-83-2
- $1.00
- Min98%HPLC
- Career Henan Chemical Co
