TX1390

2,2,4-Trimethylpentane

Meets ACS Specifications, Meets Reagent Specifications for testing USP/NF monographs GR ACS

• Synonym(s): Isooctane
• Linear Formula: (CH₃)₂CHCH₂C(CH₃)₃
• CAS Number: 540-84-1
• Molecular Weight: 114.23
• Beilstein/REAXYS Number: 1696876
• MDL number: MFCD00008943
• UNSPSC Code: 12191502
• EC Index Number: 208-759-1

Properties

• agency: meets USP/NF
• Quality Level: 200
• vapor density: 3.9 (vs air)
• vapor pressure: 41 mmHg ( 21 °C)
• assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 745 °F
• expl. lim.: 6 %
• impurities: ≤0.0003 meq/g Water-soluble titrable acid; ≤0.005% Sulfur compounds (as S)
• evapn. residue: ≤0.001%
• color: APHA: ≤10
• refractive index: n20/D 1.391 (lit.)
• pH: 7
• bp: 98-99 °C (lit.)
• mp: −107 °C (lit.)
• transition temp: flash point -12 °C
• solubility: 0.56 mg/L
• density: 0.692 g/mL at 25 °C (lit.)
• shipped in: ambient
• storage temp.: room temp
• 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

Application

Meets ACS Specifications, Meets Reagent Specifications for testing USP/NF monographs GR ACS

Analysis Note

Assay (GC): 99.0% min
Color (APHA): 10 max
Evaporation residue: 0.001% max
Form: Clear liquid
Sulfur compounds (as S): 0.005% max
Water-soluble titrable acid: 0.0003meq/g max

Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H410
• pcodes: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Central nervous system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: 10.4 °F - closed cup
• flash_point_c: -12 °C - closed cup