Monomethyl Sebacate - ≥95% , CAS No.818-88-2

CAS: 818-88-2 Cat. No.: M158575 Formula: C₁₁H₂₀O₄ Peso molecolare: 216.28 Beilstein Registry Number: 2(4)2079 Numero EC: 212-458-0

GRADE & PURITY ≥95%

Synonyms

10-Methoxy-10-oxodecanoic acid # | SEBACIC ACID, MONOMETHYL ESTER | decandioic acid mono methyl ester | S0395 | Monomethyl Sebacate | Mono-methyl sebacate | SY051601 | Decanedioic acid, monomethyl ester | AI3-11759 | Methyl hydrogen sebacate | EN300-74024

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

10-Methoxy-10-oxodecanoic acid # | SEBACIC ACID, MONOMETHYL ESTER | decandioic acid mono methyl ester | S0395 | Monomethyl Sebacate | Mono-methyl sebacate | SY051601 | Decanedioic acid, monomethyl ester | AI3-11759 | Methyl hydrogen sebacate | EN300-74024

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488184441

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184441

Sorrisi canonici

COC(=O)CCCCCCCCC(=O)O

IUPAC Name

10-methoxy-10-oxodecanoic acid

InChIKey

OSYQOBUUFRGFNG-UHFFFAOYSA-N

INCHI

1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)

Isomeri SMILES

COC(=O)CCCCCCCCC(=O)O

Peso molecolare

216.28

Beilstein

2(4)2079

Reaxy-Rn

1780519

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1780519&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Fatty acid methyl esters Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Fatty acid methyl ester - Fatty acid ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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

• Punto di fusione (°C): 42 °C
• Peso molecolare: 216.270 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 216.136 Da
• Monoisotopic Mass: 216.136 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 189.000
• 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 ≥95% purity (chemical assay). 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 818-88-2, the molecular formula is C11H20O4, and the molecular weight is 216.28 g/mol. InChIKey OSYQOBUUFRGFNG-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.