ChemicalBook CAS DataBase List 75-83-2

75-83-2

Name	2,2-Dimethylbutane
CAS	75-83-2
EINECS(EC#)	200-906-8
Molecular Formula	C6H14
MDL Number	MFCD00009321
Molecular Weight	86.18
MOL File	75-83-2.mol

Chemical Properties

Appearance	colourless liquid
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	n20/D 1.369(lit.)
Fp	<−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
Stability:	Stable, but may be moisture sensitive. Highly flammable. Incompatible with strong oxidizing agents.
explosive limit	~7.7%
Odor Threshold	20ppm
Water Solubility	insoluble
Specific Heat Capacity	Cp(liquid):191.9J/(g·K),at 25℃
Thermal Conductivity	0.0934 W/(m·K) at 25 ℃
BRN	1730736
Henry's Law Constant	1.69(atm?m³/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).
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
Uses	Component of high-octane motor and aviation fuels, intermediate for agricultural chemicals less more
CAS DataBase Reference	75-83-2(CAS DataBase Reference)
NIST Chemistry Reference	Butane, 2,2-dimethyl-(75-83-2)
EPA Substance Registry System	75-83-2(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS07,GHS08,GHS09
Signal word	Danger
Hazard statements	H225-H304-H315-H336-H411
Precautionary statements	P210-P233-P273-P301+P310-P303+P361+P353-P331
Hazard Codes	F,Xn,N
Risk Statements	R11:Highly Flammable. R38:Irritating to the skin. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R65:Harmful: May cause lung damage if swallowed. R67:Vapors may cause drowsiness and dizziness. less more
Safety Statements	S9:Keep container in a well-ventilated place . S16:Keep away from sources of ignition-No smoking . S29:Do not empty into drains . S33:Take precautionary measures against static discharges . S61:Avoid release to the environment. Refer to special instructions safety data sheet . S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label . less more
OEB	A
OEL	TWA: 100.0 ppm; 350.0 mg/m3, STEL: 510.0 ppm; 1800.0 mg/m3
RIDADR	UN 1208 3/PG 2
WGK Germany	3
RTECS	EJ9300000
Autoignition Temperature	797 °F
TSCA	TSCA listed
REACH Registrations	Active
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
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. less more
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). less more

Hazard Information

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.

Reactivity Profile

NEOHEXANE(75-83-2) 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.

Air & Water Reactions

Highly flammable. Insoluble in 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.

Chemical Properties

2,2-Dimethylbutane, C6H14, is a colorless and flammable liquid with a specific gravity of 0.6444.

Chemical Properties

colourless liquid

Physical properties

Clear, colorless liquid with a mild petroleum-like odor. Liquid quickly evaporates and forms conbustible fumes. An odor threshold concentration of 20 ppm_v was reported by Nagata and Takeuchi (1990).

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.

Production Methods

2,2-Dimethylbutane is produced from crude oil, natural liquid gases, and petroleum refining processes.

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/molecule?sec, 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.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

Meryer (Shanghai) Chemical Technology Co., Ltd.

Telephone4006356688 18621169109

Websitehttp://www.x-labseek.com/

Alfa Aesar

Telephone400-6106006

Websitehttp://chemicals.thermofisher.cn

TCI (Shanghai) Development Co., Ltd.

Telephone021-67121386

Websitehttps://www.tcichemicals.com/CN/zh/

Shanghai Hanhong Scientific Co.,Ltd.

Telephone021-54306202 13764082696

Websitehttps://www.hanhongsci.com

Sichuan Kulinan Technology Co., Ltd

Telephone400-1166-196 18981987031

Websitehttp://www.hx-r.com/

Sinopharm Chemical Reagent Co,Ltd.

Telephone86-21-63210123

Websitehttp://www.reagent.com.cn

Maya High Purity Chemicals

Telephone+86 (573) 82222445 (0)18006601000 452520369

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm

Spectrum Chemical Manufacturing Corp.

Telephone021-021-021-67601398-809-809-809 15221380277

Websitehttps://www.spectrumchemical.com/OA_HTML/index.jsp?minisite=10020&respid=22372&language=US

Chengdu Ai Keda Chemical Technology Co., Ltd.

Telephone4008-755-333 18080918076

Websitehttp://www.aikeshiji.com

Shanghai civi chemical technology co.,Ltd

Telephone86-21-34053660

Websitehttp://www.labgogo.com

Thermo Fisher Scientific

Telephone800-810-5118

Websitehttp://www.thermo.com.cn

Beijing innoChem Science & Technology Co.,Ltd.

Telephone400-810-7969 010-59572699

Websitehttp://www.inno-chem.com.cn

9ding chemical ( Shanghai) Limited

Telephone4009209199

Websitehttp://www.9dingchem.com

Shanghai Aladdin Bio-Chem Technology Co.,LTD

Telephone400-6206333 13167063860

Websitehttp://www.aladdin-e.com/

Chengdu AstaTech Trading Co., Ltd./AstaTech (Chengdu) Pharma. Co., Ltd.

Telephone+86-28-85122536 85324413

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList12313/0_EN.htm

Chengdu HuaXia Chemical Reagent Co. Ltd

Telephone400-1166-196 13458535857

Websitehttp://www.hx-r.com

Shanghai Kewel Chemical Co., Ltd.

Telephone021-64609169 18901607656

Websitehttp://www.kewelchem.com/

Chengdu RunZeBenTu Chemical Co., Ltd

Telephone13096311329 028-88469284 616445927

Websitehttp://www.rzbtsj.com

1of4

Related Products

Send Inquriy