Monoethyl Pimelate - ≥98% , CAS No.33018-91-6

CAS: 33018-91-6 Cat. No.: M124702 Formula: CH₃CH₂O₂C(CH₂)₅CO₂H Peso molecolare: 188.22 Beilstein Registry Number: 1774583 Numero EC: 251-346-6

GRADE & PURITY ≥98%

Synonyms

FT-0625776 | DTXSID00871373 | P1244 | AKOS006228602 | Heptanedioic acid monoethyl ester | Monoethyl Pimelate | Pimelic Acid Monoethyl Ester | SY049704 | DS-7145 | A821568 | BOC-HIS(TOS)-MERRIFIELD RESIN | BOC-HIS(TOS)-MERRIFIELDRESIN | FT-0626345 | Ethyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

FT-0625776 | DTXSID00871373 | P1244 | AKOS006228602 | Heptanedioic acid monoethyl ester | Monoethyl Pimelate | Pimelic Acid Monoethyl Ester | SY049704 | DS-7145 | A821568 | BOC-HIS(TOS)-MERRIFIELD RESIN | BOC-HIS(TOS)-MERRIFIELDRESIN | FT-0626345 | Ethyl

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504756782

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756782

Sorrisi canonici

CCOC(=O)CCCCCC(=O)O

IUPAC Name

7-ethoxy-7-oxoheptanoic acid

InChIKey

NQYXFXWKKYGBNL-UHFFFAOYSA-N

INCHI

1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11)

Isomeri SMILES

CCOC(=O)CCCCCC(=O)O

Peso molecolare

188.22

Beilstein

1774583

Reaxy-Rn

1774583

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1774583&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 esters Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Fatty acid ester - Dicarboxylic acid or derivatives - 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

• Sensibilità: Heat Sensitive
• Indice di rifrazione: 1.442
• Punto di infiammabilità (°F): >110℃(230°F)
• Punto di infiammabilità (°C): >110℃(230°F)
• Punto di ebollizione (°C): 162°C/8mmHg
• Punto di fusione (°C): 10°C
• Peso molecolare: 188.220 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 188.105 Da
• Monoisotopic Mass: 188.105 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 165.000
• 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