γ-Heptalactone - ≥98% , CAS No.105-21-5

CAS: 105-21-5 Cat. No.: H111340 Formula: C₇H₁₂O₂ Molecular Weight: 128.17 Beilstein Registry Number: 109569 EC Number: 203-279-9

GRADE & PURITY ≥98%

Synonyms

gamma-Heptalactone, >=98%, FCC, FG | gamma-Propyl-gamma-butyrolactone | LMFA07040012 | Dihydro-5-propylfuran-2(3H)-one | 2(3H)-Furanone, dihydro-5-propyl- | FEMA No. 2539 | 5-PROPYLDIHYDRO-2-FURANONE | AS-61574 | 5-propyloxolan-2-one | Heptan-4-olide | Q2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

gamma-Heptalactone, >=98%, FCC, FG | gamma-Propyl-gamma-butyrolactone | LMFA07040012 | Dihydro-5-propylfuran-2(3H)-one | 2(3H)-Furanone, dihydro-5-propyl- | FEMA No. 2539 | 5-PROPYLDIHYDRO-2-FURANONE | AS-61574 | 5-propyloxolan-2-one | Heptan-4-olide | Q2

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488180549

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180549

Canonical Smiles

CCCC1CCC(=O)O1

IUPAC Name

5-propyloxolan-2-one

InChIKey

VLSVVMPLPMNWBH-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3

Isomeric SMILES

CCCC1CCC(=O)O1

WGK Germany

2

RTECS

LU3697000

Molecular Weight

128.17

Beilstein

109569

Reaxy-Rn

109569

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109569&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: 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: Lactones

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

Mechanisms of Action

Chemical and Physical Properties

• x_refractive_index: 1.442
• x_flash_point_drop_fahrenheit: 110°C
• x_flash_point_drop_centigrade: 110°C
• x_boil_point_char: 61-62°C
• Molecular Weight: 128.169 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 109.000
• 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

Frequently Asked Questions

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 105-21-5, the molecular formula is C7H12O2, and the molecular weight is 128.17 g/mol. InChIKey VLSVVMPLPMNWBH-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.