Isooctane, for spectroscopy

Name: Isooctane, for spectroscopy
Brand: Vaqora Chemicals
SKU: VQ-045959

About Isooctane, for spectroscopy

Isooctane (CAS 540-84-1) is an HPLC grade solvent offered by Vaqora Chemicals in Spectroscopy grade. The compound has the formula C8H18, corresponding to a molecular weight of 114.23 g/mol. The IUPAC name is 2,2,4-trimethylpentane. Common synonyms include Pentane, 2,2,4-trimethyl- and Isobutyltrimethylethane.

The product is provided as a liquid. Keep containers tightly closed in a cool, well-ventilated area away from heat and ignition sources. Under GHS it is labelled “Danger”, so handle it with suitable PPE and consult the SDS.

Typical applications include HPLC mobile phase, LC-MS sample preparation, trace analysis and chromatography. It is used across academic and industrial research and pharmaceutical manufacturing.

We offer Isooctane in 1000 mL and 2500 mL packs with a batch-specific COA, and ship to customers worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request.

Typical applications

HPLC mobile phase
LC-MS sample preparation
Trace analysis
Chromatography

Industries

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Isooctane, for spectroscopy
Catalogue No.	VQ-045959
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	Spectroscopy
HSN code	29011000
InChIKey	NHTMVDHEPJAVLT-UHFFFAOYSA-N
SMILES	CC(C)CC(C)(C)C
PubChem CID	10907

Physical properties
Physical form	Liquid
LogP (XLogP3)	3.8
H-bond donors / acceptors	0 / 0
TPSA	0 Å²
Synonyms	Pentane, 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

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

Isooctane, for HPLC 99.5%+

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

VQ-001734

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

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 spectroscopy?

The CAS Registry Number of Isooctane, for spectroscopy is 540-84-1. It is also known as Pentane, 2,2,4-trimethyl-, Isobutyltrimethylethane, 2,2,4trimethylpentane.

What is the molecular formula and molecular weight of Isooctane, for spectroscopy?

Isooctane, for spectroscopy 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 spectroscopy can I order?

We supply Isooctane, for spectroscopy in Spectroscopy grade, in 1000 mL, 2500 mL packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Isooctane, for spectroscopy?

Yes. Every lot of Isooctane, for spectroscopy 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 spectroscopy be shipped internationally?

Yes. Isooctane, for spectroscopy is classified as hazardous, 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.