Isobutyl Palmitate - ≥97%(GC) , CAS No.110-34-9

CAS: 110-34-9 Cat. No.: I157457 Formula: C₂₀H₄₀O₂ Peso molecolare: 312.54 Numero EC: 203-758-2

QUALITÀ & PUREZZA ≥97%(GC)

Synonyms

Isobutyl palmitate, AldrichCPR | Palmitic Acid Isobutyl Ester | FT-0768163 | Palmitic acid, isobutyl ester | Q27283627 | DTXSID4059386 | Hexadecanoic acid, 2-methylpropyl ester | isobutyl hexadecanoate | 2-Methylpropyl hexadecanoate | HY-W127337 | PALMITI

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

Isobutyl palmitate, AldrichCPR | Palmitic Acid Isobutyl Ester | FT-0768163 | Palmitic acid, isobutyl ester | Q27283627 | DTXSID4059386 | Hexadecanoic acid, 2-methylpropyl ester | isobutyl hexadecanoate | 2-Methylpropyl hexadecanoate | HY-W127337 | PALMITI

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

528772251

Sorrisi canonici

CCCCCCCCCCCCCCCC(=O)OCC(C)C

IUPAC Name

2-methylpropyl hexadecanoate

InChIKey

OJIBJRXMHVZPLV-UHFFFAOYSA-N

INCHI

1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3

Isomeri SMILES

CCCCCCCCCCCCCCCC(=O)OCC(C)C

Peso molecolare

312.54

Reaxy-Rn

1788293

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788293&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.44
• Punto di infiammabilità (°C): 196°C(lit.)
• Punto di ebollizione (°C): 207 °C/15 mmHg
• Punto di fusione (°C): 19 °C
• Peso molecolare: 312.500 g/mol
• XLogP3: 8.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 312.303 Da
• Monoisotopic Mass: 312.303 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 236.000
• 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