Cyclopropylacetic acid - ≥95% , CAS No.5239-82-7

CAS: 5239-82-7 Cat. No.: C134997 Formula: C₅H₈O₂ Peso molecolare: 100.12 Beilstein Registry Number: 2323311 Numero EC: 670-932-6

GRADE & PURITY ≥95%

Synonyms

2-cyclopropylacetic acid | 2-Cyclopropyl-acetic acid | KVVDRQDTODKIJD-UHFFFAOYSA-N | Cyclopropaneacetic acid | Q27293854 | AKOS008105104 | BBL103301 | F2191-0128 | STL557111 | Cyclopropylaceticacid | FT-0624297 | Cyclopropylacetic acid | cyclopropyl-aceti

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2-cyclopropylacetic acid | 2-Cyclopropyl-acetic acid | KVVDRQDTODKIJD-UHFFFAOYSA-N | Cyclopropaneacetic acid | Q27293854 | AKOS008105104 | BBL103301 | F2191-0128 | STL557111 | Cyclopropylaceticacid | FT-0624297 | Cyclopropylacetic acid | cyclopropyl-aceti

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504757159

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757159

Sorrisi canonici

C1CC1CC(=O)O

IUPAC Name

2-cyclopropylacetic acid

InChIKey

KVVDRQDTODKIJD-UHFFFAOYSA-N

INCHI

1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7)

Isomeri SMILES

C1CC1CC(=O)O

WGK Germania

3

Peso molecolare

100.12

Beilstein

2323311

Reaxy-Rn

2323311

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2323311&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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: 1.435
• Punto di infiammabilità (°F): 208.4 °F
• Punto di infiammabilità (°C): 98 °C
• Punto di ebollizione (°C): 189-191℃
• Peso molecolare: 100.120 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 37.300 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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 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 5239-82-7, the molecular formula is C5H8O2, and the molecular weight is 100.12 g/mol. InChIKey KVVDRQDTODKIJD-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.