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HPLC & LC-MS Grade Solvents

Isooctane, for spectroscopy

SpectroscopyAvailable on request

Isooctane, for spectroscopy (CAS 540-84-1) supplier Zemixal. Request a quote with price, lead time and documents. Catalogue no. ZX-037438.

Pack sizes
Isooctane, for spectroscopy chemical structure
CAS number540-84-1
FormulaC8H18
Molar mass114.23 g/mol
Physical formLiquid
HS code29011000
InChIKeyNHTMVDHEPJAVLT-UHFFFAOYSA-N
IUPAC name2,2,4-trimethylpentane

About Isooctane, for spectroscopy

Researchers and plant chemists source Isooctane, for spectroscopy from Zemixal for routine and specialised work. Key data (Spectroscopy): CAS 540-84-1, formula C8H18 and molar mass 114.23 g/mol. It is handled as a liquid.

Use cases we see most often

  • HPLC mobile phase
  • LC-MS sample preparation
  • Trace analysis
  • Chromatography

Storage and safety notes

Classified under GHS with signal word Danger and hazard statements H225, H304, H315 and H336. Read the SDS before first use.

Standard pack sizes are 1000 mL and 2500 mL, and custom quantities are quoted on request. Every shipment includes a batch certificate of analysis and a 16-section SDS. Request pricing online and we confirm availability, documentation and freight to your country.

Typical uses

  • HPLC mobile phase
  • LC-MS sample preparation
  • Trace analysis
  • Chromatography

Applications

Grade guides

Specifications and identifiers

Specifications of Isooctane, for spectroscopy
Product nameIsooctane, for spectroscopy
Catalogue numberZX-037438
CAS number540-84-1
IUPAC name2,2,4-trimethylpentane
Molecular formulaC8H18
Molar mass114.23 g/mol
Exact mass114.1409
GradeSpectroscopy
Physical formLiquid
XLogP33.8
H-bond donors / acceptors0 / 0
Topological polar surface area0 Ų
HS code29011000
InChIKeyNHTMVDHEPJAVLT-UHFFFAOYSA-N
SMILESCC(C)CC(C)(C)C
PubChem CID10907
SynonymsPentane, 2,2,4-trimethyl-, Isobutyltrimethylethane, 2,2,4trimethylpentane, 2,4,4Trimethylpentane, Pentane, 2,2,4trimethyl, 2,2,4-trimethylpentane (tmp), Trimethylpentane, Isobutyltrimethylmethane, 2,4,4-Trimethylpentane, i-octane, Isooctane Blank, 2,2,4-trimethyl-pentane

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS02 Flammable
Flammable
GHS07 Irritant or harmful
Irritant or harmful
GHS08 Health hazard
Health hazard
GHS09 Hazardous to the environment
Hazardous to the environment

Signal word Danger

  • H225Highly flammable liquid and vapor
  • H304May be fatal if swallowed and enters airways
  • H315Causes skin irritation
  • H336May cause drowsiness or dizziness
  • H400Very toxic to aquatic life
  • H410Very toxic to aquatic life with long lasting effects

Precautionary statements P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301 + P316, P302 + P352, P303 + P361 + P353, P304 + P340, P319, P321, P331, P332 + P317, P362 + P364, P370 + P378, P391, P403 + P233, P403 + P235

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Isooctane, for spectroscopy
1000 mLQuoted on request
2500 mLQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Isooctane, for spectroscopy

Which CAS number identifies Isooctane, for spectroscopy?
Isooctane, for spectroscopy is registered under CAS 540-84-1. You may also see it listed as Pentane, 2,2,4-trimethyl-, Isobutyltrimethylethane, 2,2,4trimethylpentane. Our catalogue number for this item is ZX-037438.
What are the formula and molar mass of Isooctane, for spectroscopy?
For Isooctane, for spectroscopy, its formula is C8H18 and its molar mass is 114.23 g/mol. The systematic (IUPAC) name is 2,2,4-trimethylpentane. InChIKey NHTMVDHEPJAVLT-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Isooctane, for spectroscopy?
This listing is Spectroscopy grade. Standard packs are 1000 mL, 2500 mL. Larger quantities and custom packing can be quoted on request.
Which documents come with Isooctane, for spectroscopy?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Isooctane, for spectroscopy to my country?
Yes. Because Isooctane, for spectroscopy is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

Other grades with CAS 540-84-1

All 9 grades

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