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258776 Sigma-Aldrich

2,2,4-Trimethylpentane

ReagentPlus®, ≥99%

Synonym: Isooctane

  • CAS Number 540-84-1

  • Linear Formula (CH3)2CHCH2C(CH3)3

  • Molecular Weight 114.23

  •  Beilstein/REAXYS Number 1696876

  •  EC Number 208-759-1

  •  MDL number MFCD00008943

  •  PubChem Substance ID 329752832

  •  NACRES NA.21

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Properties

Related Categories ReagentPlus, ReagentPlus Solvent Grade Products, ACS and Reagent Grade Solvents, Amber Glass Bottles, Carbon Steel Cans with NPT Threads,
Quality Level   100
vapor density   3.9 (vs air)
vapor pressure   41 mmHg ( 21 °C)
product line   ReagentPlus®
assay   ≥99%
form   liquid
autoignition temp.   745 °F
expl. lim.   6 %
refractive index   n20/D 1.391 (lit.)
bp   98-99 °C (lit.)
mp   −107 °C (lit.)
density   0.692 g/mL at 25 °C (lit.)
SMILES string   CC(C)CC(C)(C)C
InChI   1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChI key   NHTMVDHEPJAVLT-UHFFFAOYSA-N

Description

Packaging

1, 2.5 L in glass bottle

18 L in steel drum

500 mL in glass bottle

Legal Information

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Safety & Documentation

Safety Information

Signal word 
Danger
Hazard statements 
Target organs 
Central nervous system
RIDADR 
UN1262 - class 3 - PG 2 - Octanes
WGK Germany 
WGK 2
RTECS 
SA3320000
Flash Point(F) 
10.4 °F - closed cup
Flash Point(C) 
-12 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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