Methyl decanoate - analytical standard, for environmental analysis, ≥99.5%(GC) , CAS No.110-42-9

CAS: 110-42-9 Cat. No.: M107051 분자식: C₁₁H₂₂O₂ 분자량: 186.29 Beilstein Registry Number: 1759170 EC 번호: 203-766-6

GRADE & PURITY Analytical standard, for Environmental analysis, ≥99.5%(GC)

Synonyms

BS-14441 | Methyl n-caprate | Methyl caprinate | METHYL DECANOATE | Methyl decanoate, 99% | Q22808395 | BRN 1759170 | Metholene 2095 | MFCD00009580 | NCGC00259306-01 | Methyl caprate | AI3-26168 | DTXSID4026842 | NCGC00256929-01 | METHYL CAPRATE [USP-RS]

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

BS-14441 | Methyl n-caprate | Methyl caprinate | METHYL DECANOATE | Methyl decanoate, 99% | Q22808395 | BRN 1759170 | Metholene 2095 | MFCD00009580 | NCGC00259306-01 | Methyl caprate | AI3-26168 | DTXSID4026842 | NCGC00256929-01 | METHYL CAPRATE [USP-RS]

사양 및 순도

analytical standard, for environmental analysis, ≥99.5%(GC)

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질, 환경 분석을 위해

순수함

≥99.5%(GC)

이름과 식별자

• Pubchem Sid: 528773673
• 정식 스마일: CCCCCCCCCC(=O)OC
• IUPAC Name: methyl decanoate
• InChIKey: YRHYCMZPEVDGFQ-UHFFFAOYSA-N
• INCHI: 1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
• 이성체 SMILES: CCCCCCCCCC(=O)OC
• WGK 독일: 1
• RTECS: HD9830000
• 분자량: 186.29
• Beilstein: 1759170
• Reaxy-Rn: 1759170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759170&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 methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl 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 methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: Wax monoesters

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

관련 대상(비인간)

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.425
• 발화점(°F): 230 °F
• 발화점(°C): 90 °C
• 끓는점(°C): 108 °C/10 mmHg
• 녹는점(°C): -14--11°C
• 분자량: 186.290 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 186.162 Da
• Monoisotopic Mass: 186.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 121.000
• 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