2-Butynoic acid - ≥98% , CAS No.590-93-2

CAS: 590-93-2 Cat. No.: B113384 分子式: C₄H₄O₂ 分子量: 84.07 Beilstein Registry Number: 2(4)1690 EC番号: 209-695-7

GRADE & PURITY ≥98%

Synonyms

2-butylnoic acid | butynoic acid | 1-Propynecarboxylic acid | 2-butynoicacid | BBL103555 | MFCD00004363 | AKOS005259791 | 2-Butynoic acid, 98% | TetrolsA currencyure | 3-Methylpropiolic acid | but-2-ynoic acid | EINECS 209-695-7 | UNII-W3AM9ANZ22 | NSC 17

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

2-butylnoic acid | butynoic acid | 1-Propynecarboxylic acid | 2-butynoicacid | BBL103555 | MFCD00004363 | AKOS005259791 | 2-Butynoic acid, 98% | TetrolsA currencyure | 3-Methylpropiolic acid | but-2-ynoic acid | EINECS 209-695-7 | UNII-W3AM9ANZ22 | NSC 17

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488184171

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184171

カノニカル・スマイル

CC#CC(=O)O

IUPAC Name

but-2-ynoic acid

InChIKey

LUEHNHVFDCZTGL-UHFFFAOYSA-N

INCHI

1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)

異性体SMILES

CC#CC(=O)O

WGKドイツ

3

UN番号

3261

分子量

84.07

Beilstein

2(4)1690

Reaxy-Rn

1740205

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740205&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• 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

作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 203°C
• 融点（°C）: 78-80°C
• 分子量: 84.070 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 84.0211 Da
• Monoisotopic Mass: 84.0211 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 112.000
• 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

よくある質問

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 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 590-93-2, the molecular formula is C4H4O2, and the molecular weight is 84.07 g/mol. InChIKey LUEHNHVFDCZTGL-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.