Amyl Decanoate - ≥93%(GC) , CAS No.5933-87-9

CAS: 5933-87-9 Cat. No.: A151070 분자식: C₁₅H₃₀O₂ 분자량: 242.4 EC 번호: 227-682-4

GRADE & PURITY ≥93%(GC)

Synonyms

CHEBI:172092 | Pentyl decanoate # | Pentyldecanoate | LMFA07010990 | AKOS030573874 | Pentyl decanoate, AldrichCPR | Amyl decanoate | DTXSID00208064 | SCHEMBL2138970 | Decanoic acid, pentyl ester | Amyl caprinate | Pentyl decanoate | Amyl caprate | MFCD000

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

CHEBI:172092 | Pentyl decanoate # | Pentyldecanoate | LMFA07010990 | AKOS030573874 | Pentyl decanoate, AldrichCPR | Amyl decanoate | DTXSID00208064 | SCHEMBL2138970 | Decanoic acid, pentyl ester | Amyl caprinate | Pentyl decanoate | Amyl caprate | MFCD000

사양 및 순도

≥93%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥93%(GC)

이름과 식별자

Pubchem Sid

504759225

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759225

정식 스마일

CCCCCCCCCC(=O)OCCCCC

IUPAC Name

pentyl decanoate

InChIKey

BGYFCELTJPRWBA-UHFFFAOYSA-N

INCHI

1S/C15H30O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h3-14H2,1-2H3

이성체 SMILES

CCCCCCCCCC(=O)OCCCCC

분자량

242.4

Reaxy-Rn

1864058

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1864058&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

화학 및 물리적 특성

• 굴절률: 1.43
• 발화점(°C): 130 °C
• 분자량: 242.400 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 242.225 Da
• Monoisotopic Mass: 242.225 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 166.000
• 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 ≥93% 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 5933-87-9, the molecular formula is C15H30O2, and the molecular weight is 242.4 g/mol. InChIKey BGYFCELTJPRWBA-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.