Isooctane, for HPLC 99.5%+

Name: Isooctane, for HPLC 99.5%+
Brand: Vaqora Chemicals
SKU: VQ-001734

About Isooctane, for HPLC 99.5%+

Listed under CAS 540-84-1, Isooctane is an HPLC grade solvent available from Vaqora Chemicals (HPLC grade) with a typical assay of ≥99.5%. Formula C8H18, molecular weight 114.23 g/mol. Its systematic (IUPAC) name is 2,2,4-trimethylpentane. Alternative names: Iso-Octane and Pentane, 2,2,4-trimethyl-.

It is supplied as a liquid. Literature values give a density of 0.692 g/cm3. Store in a cool, well-ventilated place, away from sources of ignition, with the container tightly sealed. Under GHS it is labelled “Danger”, so handle it with suitable PPE and consult the SDS.

It is commonly used for HPLC mobile phase, LC-MS sample preparation, trace analysis and fuels and lubricants. Our customers for this product work in academic and industrial research and pharmaceutical manufacturing.

Standard pack sizes are 500 mL and 203 L, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

HPLC mobile phase
LC-MS sample preparation
Trace analysis
Fuels & lubricants

Industries

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Isooctane, for HPLC 99.5%+
Catalogue No.	VQ-001734
CAS Number	540-84-1
IUPAC name	2,2,4-trimethylpentane
Molecular formula	C₈H₁₈
Molecular weight	114.23 g/mol
Exact mass	114.1409
Grade	HPLC
Purity / assay	≥99.5%
HSN code	29011000
InChIKey	NHTMVDHEPJAVLT-UHFFFAOYSA-N
SMILES	CC(C)CC(C)(C)C
PubChem CID	10907

Physical properties
Physical form	Liquid
Appearance	Liquid
Density	0.692 g/cm3
LogP (XLogP3)	3.8
H-bond donors / acceptors	0 / 0
TPSA	0 Å²
UN number	UN 1262
Synonyms	Iso-Octane, Pentane, 2,2,4-trimethyl-, Isobutyltrimethylethane, 4-01-00-00439 (Beilstein Handbook Reference), 2,2,4trimethylpentane, 2,4,4Trimethylpentane, Pentane, 2,2,4trimethyl, 2,2,4-trimethylpentane (tmp), Trimethylpentane, Isobutyltrimethylmethane, 2,4,4-Trimethylpentane, i-octane

Safety & hazard information (GHS)

Flammable

Harmful / irritant

Health hazard

Environmental hazard

Signal word: Danger

Hazard statements

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 is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Other grades of CAS 540-84-1

Extra Pure

Isoctane, 99%

CAS: 540-84-1
Formula: C₈H₁₈
MW: 114.23 g/mol

VQ-001915

AR / GC

Isooctane, AR, for GC >99.5%

CAS: 540-84-1
Formula: C₈H₁₈
MW: 114.23 g/mol

VQ-045916

AR / Dry

Isooctane, AR, specially dried 99.5%

CAS: 540-84-1
Formula: C₈H₁₈
MW: 114.23 g/mol

VQ-045535

GC

Isooctane, for GC

CAS: 540-84-1
Formula: C₈H₁₈
MW: 114.23 g/mol

VQ-046995

HPLC / Spectroscopy

Isooctane, for HPLC, for spectroscopy 99.5%

CAS: 540-84-1
Formula: C₈H₁₈
MW: 114.23 g/mol

VQ-045548

Pesticide Residue

Isooctane, for pesticide residue analysis 99.8%

CAS: 540-84-1
Formula: C₈H₁₈
MW: 114.23 g/mol

VQ-045560

Spectroscopy

Isooctane, for spectroscopy

CAS: 540-84-1
Formula: C₈H₁₈
MW: 114.23 g/mol

VQ-045959

AR

Isooctane, GR 99.5%+

CAS: 540-84-1
Formula: C₈H₁₈
MW: 114.23 g/mol

VQ-001802

Frequently asked questions

What is the CAS number of Isooctane, for HPLC 99.5%+?

The CAS Registry Number of Isooctane, for HPLC 99.5%+ is 540-84-1. It is also known as Iso-Octane, Pentane, 2,2,4-trimethyl-, Isobutyltrimethylethane.

What is the molecular formula and molecular weight of Isooctane, for HPLC 99.5%+?

Isooctane, for HPLC 99.5%+ has the molecular formula C8H18 and a molecular weight of 114.23 g/mol. Its IUPAC name is 2,2,4-trimethylpentane.

Which grade and pack sizes of Isooctane, for HPLC 99.5%+ can I order?

We supply Isooctane, for HPLC 99.5%+ in HPLC (≥99.5%) grade, in 500 mL, 203 L packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Isooctane, for HPLC 99.5%+?

Yes. Every lot of Isooctane, for HPLC 99.5%+ is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Isooctane, for HPLC 99.5%+ be shipped internationally?

Yes. Isooctane, for HPLC 99.5%+ is classified as hazardous (UN 1262), so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.