Isobutyl Laurate - ≥96%(GC) , CAS No.37811-72-6

CAS: 37811-72-6 Cat. No.: I157459 Formula: C₁₆H₃₂O₂ Peso molecolare: 256.43 Numero EC: 253-675-0

QUALITÀ & PUREZZA ≥96%(GC)

Synonyms

Isobutyl laurate | NSC 406877 | Q63399983 | SZFOMJOELAAHAF-UHFFFAOYSA-N | LAURICACIDISOBUTYLESTER | 2-Methylpropyl dodecanoate | HY-W127469 | Lauric acid isobutyl ester | Dodecanoic acid, 2-methylpropyl ester | EINECS 253-675-0 | L0084 | AI3-08323 | SCHEM

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

Isobutyl laurate | NSC 406877 | Q63399983 | SZFOMJOELAAHAF-UHFFFAOYSA-N | LAURICACIDISOBUTYLESTER | 2-Methylpropyl dodecanoate | HY-W127469 | Lauric acid isobutyl ester | Dodecanoic acid, 2-methylpropyl ester | EINECS 253-675-0 | L0084 | AI3-08323 | SCHEM

Specifiche e purezza

≥96%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%(GC)

Nomi e identificatori

Pubchem Sid

504756482

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756482

Sorrisi canonici

CCCCCCCCCCCC(=O)OCC(C)C

IUPAC Name

2-methylpropyl dodecanoate

InChIKey

SZFOMJOELAAHAF-UHFFFAOYSA-N

INCHI

1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-16(17)18-14-15(2)3/h15H,4-14H2,1-3H3

Isomeri SMILES

CCCCCCCCCCCC(=O)OCC(C)C

Peso molecolare

256.43

Reaxy-Rn

6857614

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6857614&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: 1.43
• Punto di infiammabilità (°F): 150°C(lit.)
• Punto di infiammabilità (°C): 150°C(lit.)
• Peso molecolare: 256.420 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 256.24 Da
• Monoisotopic Mass: 256.24 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 188.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 37811-72-6, the molecular formula is C16H32O2, and the molecular weight is 256.43 g/mol. InChIKey SZFOMJOELAAHAF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.