TX1389

2,2,4-Trimethylpentane

OmniSolv^®

• 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

• vapor density: 3.9 (vs air)
• Quality Level: 100
• vapor pressure: 41 mmHg ( 21 °C)
• product line: OmniSolv^®
• assay: ≥99.5% (GC)
• form: liquid
• autoignition temp.: 745 °F
• expl. lim.: 6 %
• technique(s): HPLC: suitable; LC/MS: suitable; gas chromatography (GC): suitable
• impurities: ≤0.01% Water (H₂O); ≤5 ng/L Capillary ECD responsive substances (as PCNB)
• evapn. residue: ≤1 ppm
• 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.)
• UV cutoff: ≤200 nm
• UV absorption: λ: 200 nm A_max: ≤1.00; λ: 220 nm A_max: ≤0.05; λ: 230 nm A_max: ≤0.02; λ: 250 nm A_max: ≤0.005; λ: 270 nm A_max: ≤0.005; λ: 300 nm A_max: ≤0.005
• 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

OmniSolv^®

TX1389P-1 is packaged in poly coated glass bottles

Preparation Note

Product filtered through a 0.2 μm filter

Analysis Note

Assay (GC)99.5% minCapillary ECD responsive substances (as PCNB)5ng/L maxColor (APHA)10 maxEvaporation residue1ppm maxFiltered through 0.2 µm filterTo pass testFluorescence (as quinine base)250ppt maxFormClear liquidInfrared SpectrumConforms to standardRefractive index (at 20°C)UV Abs. at 200 nm1.00AU maxUV Abs. at 220 nm0.05AU maxUV Abs. at 230 nm0.02AU maxUV Abs. at 250 nm0.005AU maxUV Abs. at 270 nm0.005AU maxUV Abs. at 300 nm0.005AU maxUV Cut-off200nm maxWater (H2O)0.01% max

Legal Information

OMNISOLV is a registered trademark of Merck KGaA, Darmstadt, Germany

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