Diethylene glycol monohexyl ether - ≥96% , CAS No.112-59-4

CAS: 112-59-4 Cat. No.: D111066 Summenformel: C₁₀H₂₂O₃ Molekulargewicht: 190.28 Beilstein Registry Number: 1743959 EG-Nummer: 203-988-3

GRADE & PURITY ≥96%

Synonyms

Di(ethylene glycol) hexyl ether | Hexyl carbitol | NCGC00164133-02 | Ucar Filmer EHC | D0501 | BRN 1743959 | 3,6-Dioxa-1-dodecanol | 3,6-Dioxadodecanol-1 | C6E2 | NCGC00164133-01 | Tox21_202146 | Di(ethylene glycol) hexyl ether, 97% | EC 203-988-3 | FT-06

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

Di(ethylene glycol) hexyl ether | Hexyl carbitol | NCGC00164133-02 | Ucar Filmer EHC | D0501 | BRN 1743959 | 3,6-Dioxa-1-dodecanol | 3,6-Dioxadodecanol-1 | C6E2 | NCGC00164133-01 | Tox21_202146 | Di(ethylene glycol) hexyl ether, 97% | EC 203-988-3 | FT-06

Spezifikationen & Reinheit

≥96%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488180727

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180727

Kanonisches Lächeln

CCCCCCOCCOCCO

IUPAC Name

2-(2-hexoxyethoxy)ethanol

InChIKey

GZMAAYIALGURDQ-UHFFFAOYSA-N

INCHI

1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3

Isomere SMILES

CCCCCCOCCOCCO

WGK Deutschland

1

RTECS

KL2625000

Molekulargewicht

190.28

Beilstein

1743959

Reaxy-Rn

1743959

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743959&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water; Degree of Solubility in water: 17 g/l 20 °C
• Empfindlichkeit: Hygroscopic.
• Brechungsindex: 1.438
• Flammpunkt (°C): 141°C
• Siedepunkt (°C): 261-265°C
• Molekulargewicht: 190.280 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 190.157 Da
• Monoisotopic Mass: 190.157 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 86.200
• 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