ChemicalBook Product Catalog Chemical Reagents Organic reagents Alkanes 2,2,3-TRIMETHYLBUTANE

2,2,3-TRIMETHYLBUTANE

Product Name2,2,3-TRIMETHYLBUTANE
CAS464-06-2
MFC7H16
MW100.2
EINECS207-346-3
MOL File464-06-2.mol

Chemical Properties

Melting point	−25 °C(lit.)
Boiling point	80.9 °C(lit.)
Density	0.69 g/mL at 25 °C(lit.)
vapor pressure	3.37 psi ( 37.7 °C)
refractive index	n20/D 1.389(lit.)
Flash point	20 °F
form	Liquid
color	Clear colorless
explosive limit	~7%
Water Solubility	4.38mg/L at 25℃
Thermal Conductivity	0.124 W/(m·K) at 25 ℃
BRN	1730756
Henry's Law Constant	3.2×10^-6 mol/(m³Pa) at 25℃, Mackay et al. (2006)
Dielectric constant	1.9（20℃）
InChI	1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3
InChIKey	ZISSAWUMDACLOM-UHFFFAOYSA-N
SMILES	CC(C)C(C)(C)C
LogP	3.59
CAS DataBase Reference	464-06-2(CAS DataBase Reference)
EPA Substance Registry System	2,2,3-Trimethylbutane (464-06-2)

Safety Information

Hazard Codes	F,Xn,N
Risk Statements	11-38-50/53-65-67
Safety Statements	9-16-29-33-60-61-62
RIDADR	UN 1206 3/PG 2
WGK Germany	1
Autoignition Temperature	842 °F
TSCA	TSCA listed
HazardClass	3.1
PackingGroup	II
HS Code	29011000
Storage Class	3 - Flammable liquids
Hazard Classifications	Aquatic Acute 1 Aquatic Chronic 1 Asp. Tox. 1 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3

MSDS

Provider	Language
SigmaAldrich	English

Usage And Synthesis

Description

2,2,3-Trimethylbutane (i.e., triptane) is a potential gasoline octane booster with a research octane number (RON) of 112. it is also used as a fuel additive and in comparative rate of thermal decomposition (CRTD) single-pulse surge tube studies^[1-2].

Chemical Properties

Colorless liquid. Soluble in alcohol; insoluble in water.

Uses

Organic synthesis, aviation fuel.

Preparation

2,2,3-Trimethylbutane (triptane) selectively forms from dimethyl ether at low temperatures on acid zeolites^[3].
We report herein the first selective catalytic conversion of DME to triptane on halide-free catalysts, specifically on crystalline solid acids, at much lower reaction temperatures (453–493 K) and higher DME pressures (60–250 kPa) than in established methanol/DME to hydrocarbon processes. Low temperatures avoid intervening skeletal isomerization and b-scission of triptyl chains or their precursors. These processes would otherwise occur before the methylation events that form the C7 chains containing the triptane backbone, which desorb irreversibly as triptane.
2,2,3-TRIMETHYLBUTANE synthesis

Synthesis Reference(s)

Tetrahedron Letters, 21, p. 3151, 1980 DOI: 10.1016/S0040-4039(00)77432-6

Hazard

Flammable, moderate fire risk.

References

[1] NOUR ATEF. Chemical kinetic study of triptane (2,2,3-trimethylbutane) as an anti-knock additive[J]. Combustion and Flame, 2019. DOI:10.1016/j.combustflame.2019.09.006.
[2] TSANG W. Comparative rate single-pulse shock tube studies on the thermal decomposition of cyclohexene, 2,2,3-trimethylbutane, isopropyl bromide, and ethylcyclobutane[J]. International Journal of Chemical Kinetics, 1970. DOI:10.1002/kin.550020406.
[3] JOHNH. AHN; Enrique I Prof; Burcin Temel Dr. Selective Homologation Routes to 2,2,3-Trimethylbutane on Solid Acids[J]. Angewandte Chemie International Edition, 2009. DOI:10.1002/anie.200900541.

2,2,3-TRIMETHYLBUTANE

Chemical Properties

Safety Information

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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