2-Ethylhexyl stearate - technical grade , CAS No.22047-49-0

CAS: 22047-49-0 Cat. No.: E598623 分子式: C₂₆H₅₂O₂ 分子量: 396.7 EC番号: 244-754-0

グレード＆純度 Technical grade

Synonyms

OCTADECANOIC ACID, 2-ETHYLHEXYL ESTER, (+/-)-|Vivactyl|2-Ethylhexyl stearate, mixture of stearate and palmitate (4:6)|EXCEPARL EH-S|Cetiol 868|Stearic acid, 2-ethylhexyl ester|CRODAMOL OS|ETHYLHEXYL STEARATE [INCI]|Octadecanoic acid, 2-ethylhexyl ester|2-Ethylhexyl octadecanoate|ETHOX EHS|Ethylhexyl stearate|ETHYLHEXYL STEARATE [WHO-DD]|TEGOSOFT OS|2-Ethylhexyl stearate|PELEMOL OS|9-Octadecenoic acid, 2-ethylhexyl ester|Wickenol 156|ethyl hexyl stearate

Storage

Room temperature

Shipped In

Normal

仕様

同義語

OCTADECANOIC ACID, 2-ETHYLHEXYL ESTER, (+/-)- | Vivactyl | 2-Ethylhexyl stearate, mixture of stearate and palmitate (4:6) | EXCEPARL EH-S | Cetiol 868 | Stearic acid, 2-ethylhexyl ester | CRODAMOL OS | ETHYLHEXYL STEARATE [INCI] | Octadecanoic acid, 2-ethylhexyl ester | 2-Ethylhexyl octadecanoate | ETHOX EHS | Ethylhexyl stearate | ETHYLH もっと見る

仕様と純度

technical grade

保管条件

Room temperature

入荷

Normal

等級

工業用グレード

名前と識別子

パブケム・シド

504767342

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504767342

カノニカル・スマイル

CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC

IUPAC Name

2-ethylhexyl octadecanoate

InChIKey

OPJWPPVYCOPDCM-UHFFFAOYSA-N

INCHI

1S/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3

異性体SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC

分子量

396.7

Reaxy-Rn

6725900

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6725900&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 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
• 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

化学的性質と物理的性質

• 分子量: 396.700 g/mol
• XLogP3: 11.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 23
• Exact Mass: 396.397 Da
• Monoisotopic Mass: 396.397 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 314.000
• 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