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4-Methylheptane

CAS 589-53-7(CH3CH2CH2)2CHCH3Chemical Synthesis

4-Methylheptane (CAS: 589-53-7) is a branched alkane with the linear formula (CH3CH2CH2)2CHCH3 and a molecular weight of 114.23 g/mol. This acyclic hydrocarbon is primarily utilised as a reference substance in analytical chemistry, particularly for identifying volatile organic compounds (VOCs) through techniques like gas chromatography. Available from Tech Serve Solutions with a typical assay of 99%, it serves as a valuable building block in organic synthesis.

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4-Methylheptane ((CH3CH2CH2)2CHCH3) — chemical structure, CAS 589-53-7; Chemistry, fine chemical supplied by Tech Serve Solutions
AcyclicAlkanesBuilding BlocksChemical SynthesisOrganic Building Blocks
01 /Applications

Analytical Reference Standard

4-Methylheptane functions as a crucial reference substance in analytical methodologies. It is employed to identify and quantify volatile organic compounds (VOCs) within various sample matrices, such as in the headspace analysis of microbial cultures.

Volatile Organic Compound (VOC) Analysis

Utilised in conjunction with techniques like solid-phase microextraction (SPME) and gas chromatography/mass spectrometry (GC-MS), 4-Methylheptane aids in the precise identification of VOCs. This is particularly relevant in environmental monitoring and food science applications.

Organic Synthesis Building Block

As an acyclic alkane, 4-Methylheptane can serve as a foundational component in the synthesis of more complex organic molecules. Its structure provides a defined carbon chain for various chemical transformations.

02 /Properties
Molecular weight114.23
Linear formula(CH3CH2CH2)2CHCH3
Assay99%
Boiling point117-118 °C(lit.)
Density0.705 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.398(lit.)
Vapour pressure0.77 psi (37.7 °C)
Melting point−121 °C(lit.)
Application4-Methylheptane was used as a reference substance to identify the volatile organic compounds (VOCs) in the headspace of cultures containing different MAP strains, using solid phase micro extraction and gas chromatography/mass spectrometry (SPME-GC-MS)1.
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
GHS hazard pictogram: Environmental hazard (GHS09)
Environmental hazard
Danger

Hazard statements

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

Precautionary statements

  • P210Keep away from heat, sparks and open flames. No smoking
  • P261Avoid breathing dust, fume, gas or vapours
  • P273Avoid release to the environment
  • P301IF SWALLOWED
  • P331Do NOT induce vomiting
  • P501Dispose of contents and container per local regulations
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point4 °C / 39.2 °F
Transport (UN / ADR)UN 1262 3 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)F,Xn,N
Risk statements (R)11-38-50/53-65-67
Safety statements (S)9-16-29-33-60-61-62

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
589-53-7
MDL number
MFCD00009409
PubChem substance
24847005
Beilstein registry
1696874
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 4-Methylheptane primarily used for?

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4-Methylheptane is primarily used as a reference substance for identifying volatile organic compounds (VOCs) in analytical chemistry, especially with techniques like SPME-GC-MS. It also serves as a building block in organic synthesis.

What is the CAS number and molecular formula for 4-Methylheptane?

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The CAS number for 4-Methylheptane is 589-53-7, and its linear formula is (CH3CH2CH2)2CHCH3.

What grade and purity does Tech Serve Solutions supply for 4-Methylheptane?

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Tech Serve Solutions supplies 4-Methylheptane with a typical assay of 99%. This product is intended for laboratory and industrial use and is not represented as USP, BP, EP, or any pharmacopoeia grade.

How should 4-Methylheptane be handled safely?

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4-Methylheptane is a highly flammable liquid and vapour (H225) and may be fatal if swallowed or enters airways (H304). It can cause skin irritation (H315), dizziness, or drowsiness (H336), and is toxic to aquatic life with long-lasting effects (H410). Handle with appropriate personal protective equipment, including eyeshields and gloves, and ensure adequate ventilation. Keep away from heat, sparks, and open flames.

Is 4-Methylheptane flammable?

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Yes, 4-Methylheptane is highly flammable, indicated by hazard statement H225. It has a flash point of 4 °C (39.2 °F).

How is 4-Methylheptane packed and exported by TSS?

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Tech Serve Solutions packages and exports chemicals in compliance with all relevant international shipping regulations. Specific packaging details are provided upon request, adhering to safety and logistical requirements for hazardous materials like UN 1262.

How can I request a sample or quote for 4-Methylheptane?

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To request a sample or a quote for 4-Methylheptane, please contact our sales department through the website or by phone. Provide your contact details and the quantity required for prompt processing.

Need 4-Methylheptane in a specific grade or volume?