JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.

Settings

Language

྾

224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items

Home
Chemistry & Biochemicals
Building Blocks
Organic Building Blocks
2-Methyloctane - ≥98%(GC) , CAS No.3221-61-2

2-Methyloctane - ≥98%(GC) , CAS No.3221-61-2

Name: 2-Methyloctane - ≥98%(GC) , CAS No.3221-61-2
SKU: M158524
Availability: InStock

CAS: 3221-61-2 Cat. No.: M158524 Formula: C₉H₂₀ Molecular Weight: 128.26 EC Number: 221-748-6

COA

Skip to the end of the images gallery

2-Methyloctane - ≥98%(GC) CAS No(3221-61-2) by Aladdin Scientific

Skip to the beginning of the images gallery

AVAILABLE TO ORDER

GRADE & PURITY ≥98%(GC)

Synonyms

J-018678 | AV5KXW7I9L | FT-0634728 | MFCD00027307 | FT-0691810 | M0308 | LS-13718 | Q2813823 | EINECS 271-364-8 | Isononane (8CI,9CI) | 2-Methyloctane; NSC 23695 | UNII-AV5KXW7I9L | NSC 23695 | EINECS 252-053-6 | Octane, 2-methyl- | D91311 | 2-METHYLOCTAN

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid	504752896
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752896
Canonical Smiles	CCCCCCC(C)C
IUPAC Name	2-methyloctane
InChIKey	ZUBZATZOEPUUQF-UHFFFAOYSA-N
INCHI	1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
Isomeric SMILES	CCCCCCC(C)C
WGK Germany	3
UN Number	3295
Packing Group	III
Molecular Weight	128.26
Reaxy-Rn	1696918
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696918&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Saturated hydrocarbons
    - Subclass Alkanes

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Saturated hydrocarbons
Subclass	Alkanes
Intermediate Tree Nodes	Not available
Direct Parent	Branched alkanes
Alternative Parents	Not available
Molecular Framework	Aliphatic acyclic compounds
Substituents	Branched alkane - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
D2117301	Certificate of Analysis	Feb 06, 2025	M158524
F1926007	Certificate of Analysis	Apr 17, 2023	M158524
D2225040	Certificate of Analysis	Feb 24, 2022	M158524

Chemical and Physical Properties

Solubility	Soluble in Acetone,Benzene,Ether,Alcohol
Refractive Index	1.403
Flash Point(°F)	78.8 °F
Flash Point(°C)	26°C(lit.)
Boil Point(°C)	140-144 °C
Molecular Weight	128.250 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Exact Mass	128.157 Da
Monoisotopic Mass	128.157 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	46.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Reconstitution Calculator

Reviews

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.

Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.