Methyl Cyclopropanecarboxylate - ≥98% , CAS No.2868-37-3

CAS: 2868-37-3 Cat. No.: M108025 Molecular Weight: 100.12 Beilstein Registry Number: 9(4)3 EC Number: 220-690-9

GRADE & PURITY ≥98%

Synonyms

AKOS008908823 | Methyl cyclopropane carboxylate | SCHEMBL244740 | MCPC | F0001-0900 | Cyclopropanecarboxylic acid, methyl ester | J-522599 | Methyl cyclopropylcarboxylate | EN300-55798 | Methylcyclopropanecarboxylate | BS-42685 | Ethyl octyne carbonate |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS008908823 | Methyl cyclopropane carboxylate | SCHEMBL244740 | MCPC | F0001-0900 | Cyclopropanecarboxylic acid, methyl ester | J-522599 | Methyl cyclopropylcarboxylate | EN300-55798 | Methylcyclopropanecarboxylate | BS-42685 | Ethyl octyne carbonate |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185212
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185212
• Canonical Smiles: COC(=O)C1CC1
• IUPAC Name: methyl cyclopropanecarboxylate
• InChIKey: PKAHQJNJPDVTDP-UHFFFAOYSA-N
• INCHI: 1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3
• Isomeric SMILES: COC(=O)C1CC1
• WGK Germany: 3
• RTECS: GZ2017500
• UN Number: 1992
• Packing Group: II
• Molecular Weight: 100.12
• Beilstein: 9(4)3
• Reaxy-Rn: 2039388
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039388&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Cyclopropanecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Cyclopropanecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopropanecarboxylic acids and derivatives
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopropanecarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids and derivatives. These are organic compounds containing a carboxyl group (or a derivative thereof) attached to a cyclopropane ring.
• 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

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in ethanol.
• Sensitivity: air sensitive
• Refractive Index: 1.419
• Flash Point(°C): 18 °C
• Boil Point(°C): 119°C
• Molecular Weight: 100.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 84.100
• 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