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Details

Stereochemistry ACHIRAL
Molecular Formula C7H16
Molecular Weight 100.2019
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,3-TRIMETHYLBUTANE

SMILES

CC(C)C(C)(C)C

InChI

InChIKey=ZISSAWUMDACLOM-UHFFFAOYSA-N
InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3

HIDE SMILES / InChI

Molecular Formula C7H16
Molecular Weight 100.2019
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

2,2,3-Trimethylbutane (triptane) is a hydrocarbon and one of the isomers of heptane. Heptanes may be found in gasoline and are widely used as solvents. They are also sold as fuel for outdoor stoves. 2,2,3-Trimethylbutane is a valuable fuel additive with a research octane number of 112. It can be produced with high selectivity from methanol.

Approval Year

PubMed

PubMed

TitleDatePubMed
Selective homologation routes to 2,2,3-trimethylbutane on solid acids.
2009
Selective methylative homologation: an alternate route to alkane upgrading.
2008-09-10
Conversion of methanol to 2,2,3-trimethylbutane (triptane) over indium(III) iodide.
2007-12-24
Enhanced selectivity in the conversion of methanol to 2,2,3-trimethylbutane (triptane) over zinc iodide by added phosphorous or hypophosphorous acid.
2007-07-28
Study of the thermal diffusion behavior of alkane/benzene mixtures by thermal diffusion forced rayleigh scattering experiments and lattice model calculations.
2006-12-28
On the mechanism of the conversion of methanol to 2,2,3-trimethylbutane (triptane) over zinc iodide.
2006-11-10
Solvent effects on charge transfer bands of nitrogen-centered intervalence compounds.
2001-06-20
Patents

Patents

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:40:32 GMT 2025
Edited
by admin
on Wed Apr 02 11:40:32 GMT 2025
Record UNII
40V943JDGR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,3-TRIMETHYLBUTANE
Systematic Name English
TRIPTAN
Preferred Name English
NSC-73938
Code English
TRIPTANE
Systematic Name English
BUTANE, 2,2,3-TRIMETHYL-
Systematic Name English
TRIMETHYLBUTANE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
207-346-3
Created by admin on Wed Apr 02 11:40:32 GMT 2025 , Edited by admin on Wed Apr 02 11:40:32 GMT 2025
PRIMARY
PUBCHEM
10044
Created by admin on Wed Apr 02 11:40:32 GMT 2025 , Edited by admin on Wed Apr 02 11:40:32 GMT 2025
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NSC
73938
Created by admin on Wed Apr 02 11:40:32 GMT 2025 , Edited by admin on Wed Apr 02 11:40:32 GMT 2025
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CAS
464-06-2
Created by admin on Wed Apr 02 11:40:32 GMT 2025 , Edited by admin on Wed Apr 02 11:40:32 GMT 2025
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WIKIPEDIA
TRIPTANE
Created by admin on Wed Apr 02 11:40:32 GMT 2025 , Edited by admin on Wed Apr 02 11:40:32 GMT 2025
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FDA UNII
40V943JDGR
Created by admin on Wed Apr 02 11:40:32 GMT 2025 , Edited by admin on Wed Apr 02 11:40:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID7060047
Created by admin on Wed Apr 02 11:40:32 GMT 2025 , Edited by admin on Wed Apr 02 11:40:32 GMT 2025
PRIMARY