γ-Caprolactone - 10mM in DMSO , CAS No.695-06-7

CAS: 695-06-7 Cat. No.: C425565 Formula: C₆H₁₀O₂ Molecular Weight: 114.14 Beilstein Registry Number: 6114822 EC Number: 211-778-8

GRADE & PURITY 10mM in DMSO

Synonyms

.GAMMA.-LACTONE | gamma-Hexalactone | Tonkalide | (+/-)-4-ETHYLBUTYROLACTONE | 4-Ethylbutanolide | AI3-36655 | Hexanoic acid, .gamma.-lactone | FT-0701250 | gamma-Ethylbutyrolactone | NCGC00254779-01 | SCHEMBL36360 | Tox21_300875 | gamma-Hexanolactone | .

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

.GAMMA.-LACTONE | gamma-Hexalactone | Tonkalide | (+/-)-4-ETHYLBUTYROLACTONE | 4-Ethylbutanolide | AI3-36655 | Hexanoic acid, .gamma.-lactone | FT-0701250 | gamma-Ethylbutyrolactone | NCGC00254779-01 | SCHEMBL36360 | Tox21_300875 | gamma-Hexanolactone | .

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528769190

Canonical Smiles

CCC1CCC(=O)O1

IUPAC Name

5-ethyloxolan-2-one

InChIKey

JBFHTYHTHYHCDJ-UHFFFAOYSA-N

INCHI

1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3

Isomeric SMILES

CCC1CCC(=O)O1

WGK Germany

2

RTECS

LU4220000

Molecular Weight

114.14

Beilstein

6114822

Reaxy-Rn

107260

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107260&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: 1.439
• x_flash_point_drop_fahrenheit: 208.4 °F
• x_flash_point_drop_centigrade: 98 °C
• x_boil_point_char: 219°C
• Molecular Weight: 114.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 98.700
• 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