9-Heptadecanone - ≥98%(GC) , CAS No.540-08-9

CAS: 540-08-9 Cat. No.: H156949 분자식: C₁₇H₃₄O 분자량: 254.46 EC 번호: 208-734-5

GRADE & PURITY ≥98%(GC)

Synonyms

bis-octyl ketone | DTXSID50202310 | H0536 | SY049595 | Dioctyl ketone | 9-HEPTADECANONE | AKOS009031334 | AS-56674 | EINECS 208-734-5 | SCHEMBL342685 | Dioctylketone | EN300-21560 | LMFA12000196 | NSC7336 | NSC-7336 | BRN 1707117 | C17H34O | 4-01-00-03396

Storage

Room temperature

Shipped In

Normal

Application

228,229

Specifications

동의어

bis-octyl ketone | DTXSID50202310 | H0536 | SY049595 | Dioctyl ketone | 9-HEPTADECANONE | AKOS009031334 | AS-56674 | EINECS 208-734-5 | SCHEMBL342685 | Dioctylketone | EN300-21560 | LMFA12000196 | NSC7336 | NSC-7336 | BRN 1707117 | C17H34O | 4-01-00-03396

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488181212

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181212

정식 스마일

CCCCCCCCC(=O)CCCCCCCC

IUPAC Name

heptadecan-9-one

InChIKey

WTJKUFMLQFLJOT-UHFFFAOYSA-N

INCHI

1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3

이성체 SMILES

CCCCCCCCC(=O)CCCCCCCC

RTECS

MI3925000

분자량

254.46

Reaxy-Rn

1707117

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1707117&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• External Descriptors: Oxygenated hydrocarbons

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in toluene. Insoluble in water.
• 끓는점(°C): 250-253°C
• 녹는점(°C): 54 °C
• 분자량: 254.500 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 254.261 Da
• Monoisotopic Mass: 254.261 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 156.000
• 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

자주 묻는 질문

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 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 540-08-9, the molecular formula is C17H34O, and the molecular weight is 254.46 g/mol. InChIKey WTJKUFMLQFLJOT-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.