Dipropyl phthalate-d , CAS No.358731-29-0

CAS: 358731-29-0 Cat. No.: D1443642 Formula: C₁₄D₄H₁₇O₄ Molecular Weight: 257.34 EC Number: 999-315-2 PubChem CID: 71312365

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Dipropyl phthalate-d 4 is the deuterium labeled Dipropyl phthalate.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CCCOC(=O)C1=CC=CC=C1C(=O)OCCC
• IUPAC Name: dipropyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
• InChIKey: MQHNKCZKNAJROC-KDWZCNHSSA-N
• INCHI: 1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3/i5D,6D,7D,8D
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCC)C(=O)OCCC)[2H])[2H]
• PubChem CID: 71312365
• Molecular Weight: 257.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Frequently Asked Questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 358731-29-0, the molecular formula is C14D4H17O4, and the molecular weight is 257.34 g/mol. InChIKey MQHNKCZKNAJROC-KDWZCNHSSA-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.