behenyl acrylate - Reagent grade , CAS No.18299-85-9

CAS: 18299-85-9 Cat. No.: B432254 Summenformel: C₂₅H₄₈O₂ Molekulargewicht: 380.66 EG-Nummer: 242-182-6

GRADE & PURITY Reagent Grade

Synonyms

DTXSID2066359 | Behenyl acrylate (C-22) | SCHEMBL540757 | EINECS 242-182-6 | FT-0716608 | 2-Propenoic acid docosyl ester | AS-60565 | Docosyl Acrylate, >/=95%,stabilized with MEHQ | docosyl prop-2-enoate | Docosyl acrylate | Docosyl Acrylate (stabilized w

Storage

Room temperature

Übersicht

Other Notes

Please note that Aladdin provides this product to early discovery researchers as part of a collection of unique chemicals. Aladdin does not collect analytical data for this product. Buyer assumes responsibility to confirm product identity and/or purity. All sales are final. NOTWITHSTANDING ANY CONTRARY PROVISION CONTAINED IN Aladdin′S STANDARD TERMS AND CONDITIONS OF SALE OR AN AGREEMENT BETWEEN Aladdin AND BUYER, Aladdin SELLS THIS PRODUCT "AS-IS" AND MAKES NO REPRESENTATION OR WARRANTY WHATSOEVER WITH RESPECT TO THIS PRODUCT, INCLUDING ANY (A) WARRANTY OF MERCHANTABILITY; (B) WARRANTY OF FITNESS FOR A PARTICULAR PURPOSE; OR (C) WARRANTY AGAINST INFRINGEMENT OF INTELLECTUAL PROPERTY RIGHTS OF A THIRD PARTY; WHETHER ARISING BY LAW, COURSE OF DEALING, COURSE OF PERFORMANCE, USAGE OF TRADE OR OTHERWISE.

Specifications

Synonyme

DTXSID2066359 | Behenyl acrylate (C-22) | SCHEMBL540757 | EINECS 242-182-6 | FT-0716608 | 2-Propenoic acid docosyl ester | AS-60565 | Docosyl Acrylate, >/=95%,stabilized with MEHQ | docosyl prop-2-enoate | Docosyl acrylate | Docosyl Acrylate (stabilized w

Spezifikationen & Reinheit

Reagent grade

Storage

Room temperature

Note

Reagent Grade

Namen und Kennungen

Pubchem Sid

508811688

Kanonisches Lächeln

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C

IUPAC Name

docosyl prop-2-enoate

InChIKey

KHAYCTOSKLIHEP-UHFFFAOYSA-N

INCHI

1S/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25(26)4-2/h4H,2-3,5-24H2,1H3

Isomere SMILES

CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C

Molekulargewicht

380.66

Reaxy-Rn

10604867

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10604867&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty alcohol esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Acrylic acid esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Acrylic acid ester - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate 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
• Beschreibung: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 45-49°C
• Molekulargewicht: 380.600 g/mol
• XLogP3: 11.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 23
• Exact Mass: 380.365 Da
• Monoisotopic Mass: 380.365 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 311.000
• 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