59030

2,2,4-Trimethylpentane

analytical standard

• Synonym(s): Isooctane
• Linear Formula: (CH₃)₂CHCH₂C(CH₃)₃
• CAS Number: 540-84-1
• Molecular Weight: 114.23
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329758561
• EC Number: 208-759-1
• Beilstein/REAXYS Number: 1696876
• MDL number: MFCD00008943

Properties

• grade: analytical standard
• Quality Segment: 100
• vapor density: 3.9 (vs air)
• vapor pressure: 41 mmHg ( 21 °C)
• assay: ≥99.7% (GC)
• autoignition temp.: 745 °F
• shelf life: limited shelf life, expiry date on the label
• expl. lim.: 6 %
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• refractive index: n20/D 1.391
• bp: 98-99 °C (lit.)
• mp: −107 °C (lit.)
• density: 0.692 g/mL at 25 °C (lit.)
• application(s): petroleum
• format: neat
• 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

General description

2,2,4-Trimethylpentane, a branched alkane, having a low tendency to auto-ignite, is used as a reference in determining the octane number of gasoline.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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: WGK 2
• flash_point_f: 10.4 °F - closed cup
• flash_point_c: -12 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter