Polyoxyethylene stearate - n≈45 , CAS No.9004-99-3

CAS: 9004-99-3 Cat. No.: P139718 分子式: HO(CH₂CH_2O)_nOCC₁₇H₃₅ EC番号: 618-405-1

グレード＆純度 n≈45

Synonyms

Emanon 3199 | Cerasynt MN | Lactine | MYS 40 | Nikkol MYS 4 | PEG 42 | Akyporox S 100 | Cerasynt M | Nonex 63 | PEG-40 stearate | Soromin-SG | 2-Hydroxyethyl octadecanoate | PEG-8 Stearate | Usaf ke-12 | Prodhybas N | 2-Hydroxyethyl stearate | Pegosperse

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Emanon 3199 | Cerasynt MN | Lactine | MYS 40 | Nikkol MYS 4 | PEG 42 | Akyporox S 100 | Cerasynt M | Nonex 63 | PEG-40 stearate | Soromin-SG | 2-Hydroxyethyl octadecanoate | PEG-8 Stearate | Usaf ke-12 | Prodhybas N | 2-Hydroxyethyl stearate | Pegosperse

仕様と純度

n≈45

保管条件

Room temperature

入荷

Normal

名前と識別子

パブケム・シド

508816097

カノニカル・スマイル

CCCCCCCCCCCCCCCCCC(=O)OCCO

IUPAC Name

2-hydroxyethyl octadecanoate

InChIKey

RFVNOJDQRGSOEL-UHFFFAOYSA-N

INCHI

1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3

異性体SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCO

WGKドイツ

1

RTECS

MD0907300

Reaxy-Rn

1794033

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1794033&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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 Primary alcohols 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 - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 56.5-61.5°C
• 分子量: 328.500 g/mol
• XLogP3: 7.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 328.298 Da
• Monoisotopic Mass: 328.298 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 241.000
• 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