1,5-Dimethoxypentane - ≥97% , CAS No.111-89-7

CAS: 111-89-7 Cat. No.: D155548 Formule: C₇H₁₆O₂ Poids moléculaire: 132.2 Beilstein Registry Number: 1(3)2540 Numéro CE: 601-135-3

GRADE & PURITY ≥97%

Synonyms

A15131 | SCHEMBL13313129 | MFCD03613608 | NFCBHIFOKVDBCJ-UHFFFAOYSA-N | NSC97204 | NSC-97204 | UNII-4GFM9MVT37 | 1,5-DIMETHOXYPENTANE | Pentamethylene Glycol Dimethyl Ether | Pentane, 1,5-dimethoxy- | AKOS015913318 | D90119 | 4GFM9MVT37 | D2857 | 1,5-Pent

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Product description

1,5-Dimethoxypentane (1,5-DMP) is an aliphatic diether. Its conformational analysis using Raman and infrared spectra recorded in crystalline solid state indicates that it exists in trans conformation. The Gibbs energy of hydration (at 298.15K and 0.1MPa) and Antoine constants of 1,5-DMP have been determined.

Specifications

Synonymes

A15131 | SCHEMBL13313129 | MFCD03613608 | NFCBHIFOKVDBCJ-UHFFFAOYSA-N | NSC97204 | NSC-97204 | UNII-4GFM9MVT37 | 1,5-DIMETHOXYPENTANE | Pentamethylene Glycol Dimethyl Ether | Pentane, 1,5-dimethoxy- | AKOS015913318 | D90119 | 4GFM9MVT37 | D2857 | 1,5-Pent

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504751603
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751603
• Sourires canoniques: COCCCCCOC
• IUPAC Name: 1,5-dimethoxypentane
• InChIKey: NFCBHIFOKVDBCJ-UHFFFAOYSA-N
• INCHI: 1S/C7H16O2/c1-8-6-4-3-5-7-9-2/h3-7H2,1-2H3
• Isomères SMILES: COCCCCCOC
• WGK Allemagne: 3
• Poids moléculaire: 132.2
• Beilstein: 1(3)2540
• Reaxy-Rn: 1697714
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697714&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: n20/D 1.408 (lit.)
• Point d'éclair (°F): 140 °F
• Point d'éclair (°C): 60 °C
• Point d'ébullition (°C): 161 °C (lit.)
• Poids moléculaire: 132.200 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 132.115 Da
• Monoisotopic Mass: 132.115 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 40.200
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% 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 111-89-7, the molecular formula is C7H16O2, and the molecular weight is 132.2 g/mol. InChIKey NFCBHIFOKVDBCJ-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.