2-Methyl-1-heptene - ≥98%(GC) , CAS No.15870-10-7

CAS: 15870-10-7 Cat. No.: M158504 Formula: C₈H₁₆ Molecular Weight: 112.22 Beilstein Registry Number: 1(4)881 EC Number: 239-993-2

GRADE & PURITY ≥98%(GC)

Synonyms

1-Heptene, 2-methyl- | UNII-950L7O6RJA | 2-Methyl-1-heptene, 97% | InChI=1/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3 | NSC73949 | NSC-73949 | Q22131842 | DTXSID0074009 | MFCD00009517 | D91350 | J-009520 | RCBGGJURENJHKV-UHFFFAOYSA- | AKOS015912528 | LS-11351

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-Heptene, 2-methyl- | UNII-950L7O6RJA | 2-Methyl-1-heptene, 97% | InChI=1/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3 | NSC73949 | NSC-73949 | Q22131842 | DTXSID0074009 | MFCD00009517 | D91350 | J-009520 | RCBGGJURENJHKV-UHFFFAOYSA- | AKOS015912528 | LS-11351

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488183051

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183051

Canonical Smiles

CCCCCC(=C)C

IUPAC Name

2-methylhept-1-ene

InChIKey

RCBGGJURENJHKV-UHFFFAOYSA-N

INCHI

1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3

Isomeric SMILES

CCCCCC(=C)C

Molecular Weight

112.22

Beilstein

1(4)881

Reaxy-Rn

1733419

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733419&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Branched unsaturated hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Branched unsaturated hydrocarbons
• Intermediate Tree Nodes: Not available
• Direct Parent: Branched unsaturated hydrocarbons
• Alternative Parents: Unsaturated aliphatic hydrocarbons Alkenes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Refractive Index: 1.411
• Flash Point(°F): 50.0°F
• Flash Point(°C): 10°C
• Boil Point(°C): 117-120 °C
• Molecular Weight: 112.210 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.400
• 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

Frequently Asked Questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 15870-10-7, the molecular formula is C8H16, and the molecular weight is 112.22 g/mol. InChIKey RCBGGJURENJHKV-UHFFFAOYSA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.