Heptadecane - ≥99%(GC) , CAS No.629-78-7

CAS: 629-78-7 Cat. No.: H104722 Formula: C₁₇H₃₆ Molecular Weight: 240.47 Beilstein Registry Number: 1738898 EC Number: 211-108-4

GRADE & PURITY ≥99%(GC)

Synonyms

CAS-629-78-7 | NSC 172782 | Heptadecane; NSC 172782; TS 7; n-Heptadecane | HSDB 8347 | C01816 | Heptadecane purum | n-Heptadecane (d36) | Normal-heptadecane | AI3-36898 | DTXCID5027061 | Heptadecane, 99% | Heptadecane, purum, >=98.0% (GC) | Samarium(III)C

Storage

Room temperature

Shipped In

Normal

Overview

Heptadecane was used as an internal standard in the reaction to study the first direct comparison of kava lactone extraction efficiencies. It was also used as the appropriate suspended solvent for the extraction and concentration of EO (essential oil).

Specifications

Synonyms

CAS-629-78-7 | NSC 172782 | Heptadecane; NSC 172782; TS 7; n-Heptadecane | HSDB 8347 | C01816 | Heptadecane purum | n-Heptadecane (d36) | Normal-heptadecane | AI3-36898 | DTXCID5027061 | Heptadecane, 99% | Heptadecane, purum, >=98.0% (GC) | Samarium(III)C

Specifications & Purity

≥99%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 504752326
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752326
• Canonical Smiles: CCCCCCCCCCCCCCCCC
• IUPAC Name: heptadecane
• InChIKey: NDJKXXJCMXVBJW-UHFFFAOYSA-N
• INCHI: 1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCC
• WGK Germany: 3
• RTECS: MI3550000
• Molecular Weight: 240.47
• Beilstein: 1738898
• Reaxy-Rn: 1738898
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738898&ln=

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: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• External Descriptors: a small molecule

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

• Solubility: Immiscible with water.
• x_refractive_index: 1.4369
• x_flash_point_drop_fahrenheit: 298.4℉
• x_flash_point_drop_centigrade: 148℃
• x_boil_point_char: 301.8°C
• x_melt_point_char: 22°C
• Molecular Weight: 240.500 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 240.282 Da
• Monoisotopic Mass: 240.282 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 103.000
• 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

Frequently Asked Questions

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

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 629-78-7, the molecular formula is C17H36, and the molecular weight is 240.47 g/mol. InChIKey NDJKXXJCMXVBJW-UHFFFAOYSA-N.

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.