Heptacosane - ≥96% , CAS No.593-49-7

CAS: 593-49-7 Cat. No.: H708337 분자식: C₂₇H₅₆ 분자량: 380.75 EC 번호: 209-792-4

GRADE & PURITY ≥96%

Synonyms

n-Heptacosane

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

n-Heptacosane

사양 및 순도

≥96%

보관 조건

Room temperature

배송

Normal

순수함

≥96%

이름과 식별자

• 정식 스마일: CCCCCCCCCCCCCCCCCCCCCCCCCCC
• IUPAC Name: heptacosane
• InChIKey: BJQWYEJQWHSSCJ-UHFFFAOYSA-N
• INCHI: 1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
• 이성체 SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC
• WGK 독일: 3
• 분자량: 380.75
• Reaxy-Rn: 1706242
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1706242&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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: an alkane

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

화학 및 물리적 특성

• 용해성: Solubility in hot Toluene almost transparency
• 발화점(°F): 248 °F
• 발화점(°C): 120 °C
• 끓는점(°C): 270°/15mm Hg
• 녹는점(°C): 58-60°C
• 분자량: 380.700 g/mol
• XLogP3: 14.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 24
• Exact Mass: 380.438 Da
• Monoisotopic Mass: 380.438 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 208.000
• 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

참고 문헌

1. Lina Pan, Wenfang Gao, Xinyu Liu, Dongyu Qin, Tiantian Zhang, Rui Ren, Weiyi Zhang, Meidi Sun, Cuiqing Gao, Penghua Bai, Wei You, Gengping Zhu, Min Li.  (2023)  Parasitoids as taxonomists: how does the parasitoid Chouioia cunea distinguish between a host and a non-host?.  PEST MANAGEMENT SCIENCE,  79  (11): (4547-4556).  [PMID:37427488] [10.1002/ps.7656]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). 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 593-49-7, the molecular formula is C27H56, and the molecular weight is 380.75 g/mol. InChIKey BJQWYEJQWHSSCJ-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.