Methyl palmitoleate - analytical standard , CAS No.1120-25-8

CAS: 1120-25-8 Cat. No.: M102817 분자식: C₁₇H₃₂O₂ 분자량: 268.43 Beilstein Registry Number: 1726110 EC 번호: 214-303-2

GRADE & PURITY Analytical standard

Synonyms

methyl (9Z)-hexadec-9-enoate | 9-hexadecenoic acid, methyl ester, (9Z)- | Palmitoleic acid-methyl ester | 9-Hexadecenoic acid, methyl ester, (Z)- | DTXSID00897351 | AC-33776 | METHYL PALMITOLEATE | J-002692 | Methyl palmitoleate, analytical standard | EIN

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

methyl (9Z)-hexadec-9-enoate | 9-hexadecenoic acid, methyl ester, (9Z)- | Palmitoleic acid-methyl ester | 9-Hexadecenoic acid, methyl ester, (Z)- | DTXSID00897351 | AC-33776 | METHYL PALMITOLEATE | J-002692 | Methyl palmitoleate, analytical standard | EIN

사양 및 순도

analytical standard

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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등급

분석 표준물질

이름과 식별자

Pubchem Sid

528772245

정식 스마일

CCCCCCC=CCCCCCCCC(=O)OC

IUPAC Name

methyl (Z)-hexadec-9-enoate

InChIKey

IZFGRAGOVZCUFB-HJWRWDBZSA-N

INCHI

1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-

이성체 SMILES

CCCCCC/C=C\CCCCCCCC(=O)OC

WGK 독일

1

분자량

268.43

Beilstein

1726110

Reaxy-Rn

9565700

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9565700&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

화학 및 물리적 특성

• 감도: heat,light and air sensitive
• 굴절률: 1.451
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 180-183 °C/1 mmHg
• 녹는점(°C): -0.5-0.5°C
• 분자량: 268.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 268.24 Da
• Monoisotopic Mass: 268.24 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 221.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1