Methyl 12-hydroxystearate - technical grade , CAS No.141-23-1

CAS: 141-23-1 Cat. No.: M598573 분자식: C₁₉H₃₈O₃ 분자량: 314.51 EC 번호: 205-471-8

GRADE & PURITY Technical grade

Synonyms

methyl 12-hydroxyoctadecanate | Methyl 12-hydroxystearate, United States Pharmacopeia (USP) Reference Standard | AKOS015913955 | Q27286334 | 12-Hydroxyoctadecanoic acid, methyl ester | METHYL 12-HYDROXYSTEARATE [HSDB] | METHYL 12-HYDROXYSTEARATE [USP-RS]

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

methyl 12-hydroxyoctadecanate | Methyl 12-hydroxystearate, United States Pharmacopeia (USP) Reference Standard | AKOS015913955 | Q27286334 | 12-Hydroxyoctadecanoic acid, methyl ester | METHYL 12-HYDROXYSTEARATE [HSDB] | METHYL 12-HYDROXYSTEARATE [USP-RS]

사양 및 순도

technical grade

생화학 및 생리적 메커니즘

Methyl 12-hydroxystearate is a methyl esterified fatty acid used as a reference for the identification and quantification of 12-hydroxystearic acid, a molecular organogelator, found in tissues, membranes, synthetic molecular gels and copolymers.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

기술 등급

이름과 식별자

• Pubchem Sid: 508807491
• 정식 스마일: CCCCCCC(CCCCCCCCCCC(=O)OC)O
• IUPAC Name: methyl 12-hydroxyoctadecanoate
• InChIKey: RVWOWEQKPMPWMQ-UHFFFAOYSA-N
• INCHI: 1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
• 이성체 SMILES: CCCCCCC(CCCCCCCCCCC(=O)OC)O
• WGK 독일: 3
• RTECS: WI4200000
• 분자량: 314.51
• Reaxy-Rn: 1727549
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727549&ln=

Taxonomic Classification

Taxonomy Tree

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

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: n20D1.46 (Predicted)
• 끓는점(°C): ~400.0° C at 760 mmHg (Predicted)
• 녹는점(°C): 47.8° C
• 분자량: 314.500 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 314.282 Da
• Monoisotopic Mass: 314.282 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 241.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1