isopropyl stearate - ≥98% , CAS No.112-10-7

CAS: 112-10-7 Cat. No.: I302217 Formula: C₂₁H₄₂O₂ Peso molecolare: 326.56 Numero EC: 203-934-9

GRADE & PURITY ≥98%

Synonyms

Octadecanoic acid, 1-methylethyl ester | 1-Methylethyl octadecanoate | ISOPROPYL STEARATE | Stearic acid, isopropyl ester | EINECS 203-934-9 | FT-0631637 | Wickenol 127 | Tegosoft S | Octadecanoic acid,1-methylethyl ester | BRN 1791443 | Isopropyl octadec

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

Octadecanoic acid, 1-methylethyl ester | 1-Methylethyl octadecanoate | ISOPROPYL STEARATE | Stearic acid, isopropyl ester | EINECS 203-934-9 | FT-0631637 | Wickenol 127 | Tegosoft S | Octadecanoic acid,1-methylethyl ester | BRN 1791443 | Isopropyl octadec

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCCCCCCCCCCCCCCCCC(=O)OC(C)C

IUPAC Name

propan-2-yl octadecanoate

InChIKey

ZPWFUIUNWDIYCJ-UHFFFAOYSA-N

INCHI

1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3

Isomeri SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C

Peso molecolare

326.56

Reaxy-Rn

1791443

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791443&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: 1.4325 (estimate)
• Punto di infiammabilità (°C): 179.3ºC
• Punto di ebollizione (°C): 368.2ºC at 760mmHg
• Punto di fusione (°C): 28°C
• Peso molecolare: 326.600 g/mol
• XLogP3: 9.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 326.318 Da
• Monoisotopic Mass: 326.318 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 248.000
• 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?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 112-10-7, the molecular formula is C21H42O2, and the molecular weight is 326.56 g/mol. InChIKey ZPWFUIUNWDIYCJ-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.