Terebic Acid - ≥98% , CAS No.79-91-4

CAS: 79-91-4 Cat. No.: T162042 Summenformel: C₇H₁₀O₄ Molekulargewicht: 158.15 Beilstein Registry Number: 18(3/4)5287 EG-Nummer: 201-233-2 PubChem CID: 101540

GRADE & PURITY ≥98%

Synonyms

Terebic acid | 2,2-dimethyl-5-oxotetrahydrofuran-3-carboxylic acid | 3-Furancarboxylic acid, tetrahydro-2,2-dimethyl-5-oxo- | TEREBICACID | 2,2-dimethyl-5-oxooxolane-3-carboxylic acid | Tetrahydro-2,2-dimethyl-5-oxo-3-furoic acid | MFCD00022485 | UNII-5LZ

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

Terebic acid | 2,2-dimethyl-5-oxotetrahydrofuran-3-carboxylic acid | 3-Furancarboxylic acid, tetrahydro-2,2-dimethyl-5-oxo- | TEREBICACID | 2,2-dimethyl-5-oxooxolane-3-carboxylic acid | Tetrahydro-2,2-dimethyl-5-oxo-3-furoic acid | MFCD00022485 | UNII-5LZ

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC1(C(CC(=O)O1)C(=O)O)C

IUPAC Name

2,2-dimethyl-5-oxooxolane-3-carboxylic acid

InChIKey

UZBOWOQARWWIER-UHFFFAOYSA-N

INCHI

1S/C7H10O4/c1-7(2)4(6(9)10)3-5(8)11-7/h4H,3H2,1-2H3,(H,9,10)

Isomere SMILES

CC1(C(CC(=O)O1)C(=O)O)C

PubChem CID

101540

Molekulargewicht

158.15

Beilstein

18(3/4)5287

Reaxy-Rn

82355

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Dicarboxylic acids and derivatives Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Dicarboxylic acid or derivatives - Tetrahydrofuran - Carboxylic acid ester - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 175 °C
• Molekulargewicht: 158.150 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.058 Da
• Monoisotopic Mass: 158.058 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 206.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1