Triethyl Orthovalerate - ≥95%(GC) , CAS No.919-29-9

CAS: 919-29-9 Cat. No.: T162574 Molecular Weight: 204.31 EC Number: 213-047-9 PubChem CID: 70195

GRADE & PURITY ≥95%(GC)

Synonyms

Triethyl orthopentanoate | triethylorthovalerate | 1,1,1-Triethoxypentane | AKOS015838755 | D92428 | EINECS 213-047-9 | Pyrimidine-4-carbonylchloride | T0977 | J-523837 | BuC(OEt)3 | Pentane, 1,1,1-triethoxy- | Triethyl Orthovalerate | DTXSID70238757 | OR

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Triethyl orthopentanoate | triethylorthovalerate | 1, 1, 1-Triethoxypentane | AKOS015838755 | D92428 | EINECS 213-047-9 | Pyrimidine-4-carbonylchloride | T0977 | J-523837 | BuC(OEt)3 | Pentane, 1, 1, 1-triethoxy- | Triethyl Orthovalerate | DTXSID70238757 | OR

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥95%(GC)

Names and Identifiers

• Canonical Smiles: CCCCC(OCC)(OCC)OCC
• IUPAC Name: 1,1,1-triethoxypentane
• InChIKey: DIKAUBKIDNXNNW-UHFFFAOYSA-N
• INCHI: 1S/C11H24O3/c1-5-9-10-11(12-6-2,13-7-3)14-8-4/h5-10H2,1-4H3
• Isomeric SMILES: CCCCC(OCC)(OCC)OCC
• PubChem CID: 70195
• Molecular Weight: 204.31
• Reaxy-Rn: 1745899

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ortho esters

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ortho esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho esters
• Alternative Parents: Carboxylic acid orthoesters Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ortho ester - Carboxylic acid orthoester - Orthocarboxylic acid derivative - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ortho esters. These are compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H).
• 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.41
• Boil Point(°C): 50°C/3mmHg(lit.)
• Molecular Weight: 204.310 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 204.173 Da
• Monoisotopic Mass: 204.173 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 109.000
• 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