Methyl undecanoate - ≥98% , CAS No.1731-86-8

CAS: 1731-86-8 Cat. No.: M111297 Formule: C₁₂H₂₄O₂ Poids moléculaire: 200.32 Beilstein Registry Number: 1762130 Numéro CE: 217-053-2

GRADE & PURITY ≥98%

Synonyms

METHYL UNDECANOATE | Methyl undecanoate, analytical standard | Methyl n-undecanoate | MFCD00008957 | UNII-K67YZ97W6C | 3-02-00-00858 (Beilstein Handbook Reference) | BRN 1762129 | Methyl undecanoate, certified reference material, TraceCERT(R) | 2C014F7C-5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

METHYL UNDECANOATE | Methyl undecanoate, analytical standard | Methyl n-undecanoate | MFCD00008957 | UNII-K67YZ97W6C | 3-02-00-00858 (Beilstein Handbook Reference) | BRN 1762129 | Methyl undecanoate, certified reference material, TraceCERT(R) | 2C014F7C-5

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504752682

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752682

Sourires canoniques

CCCCCCCCCCC(=O)OC

IUPAC Name

methyl undecanoate

InChIKey

XPQPWPZFBULGKT-UHFFFAOYSA-N

INCHI

1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3

Isomères SMILES

CCCCCCCCCCC(=O)OC

WGK Allemagne

3

RTECS

YQ2573000

Poids moléculaire

200.32

Beilstein

1762130

Reaxy-Rn

1762129

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1762129&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 methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl 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
• Description: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: fatty acid methyl ester

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

Propriétés chimiques et physiques

• Indice de réfraction: 1.429
• Point d'éclair (°F): 228.2 °F
• Point d'éclair (°C): 109℃
• Point d'ébullition (°C): 247°C
• Point de fusion (°C): -10 °C
• Poids moléculaire: 200.320 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 200.178 Da
• Monoisotopic Mass: 200.178 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 132.000
• 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

Foire aux questions

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1731-86-8, the molecular formula is C12H24O2, and the molecular weight is 200.32 g/mol. InChIKey XPQPWPZFBULGKT-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.