Ethylene glycol butyl ether（EB） - Standard for GC, ≥99.5%(GC) , CAS No.111-76-2

CAS: 111-76-2 Cat. No.: E110823 Molecular Weight: 118.17 Beilstein Registry Number: 1732511 EC Number: 203-905-0

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

Caswell No. 121 | Monobutyl ether of ethylene glycol | Ether monobutylique de l'ethyleneglycol | 2-Butossi-etanolo | 2-BUTOXYETHANOL [IARC] | AI3-0993 | Butylglycol [French,German] | CAS-111-76-2 | Ethylene glycol mono butyl ether | BUTOXYETHANOL [INCI] |

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

It has a moderate ether-like odor. It is soluble in 20 times its own volume of water, as well as in alcohols, most organic solvents, and mineral oils. It exhibits a high dilution ratio with petroleum hydrocarbons. Primarily used as a solvent for nitrocellulose, lacquers, fast-drying paints, varnishes, enamel, and paint strippers. Additionally, it serves as a fiber wetting agent, pesticide dispersant, resin plasticizer, and organic synthesis intermediate. It is also employed as a reagent for determining iron and molybdenum, as well as an auxiliary solvent for improving emulsification performance and dissolving mineral oils in soap solutions.

Specifications

Synonyms

Caswell No. 121 | Monobutyl ether of ethylene glycol | Ether monobutylique de l'ethyleneglycol | 2-Butossi-etanolo | 2-BUTOXYETHANOL [IARC] | AI3-0993 | Butylglycol [French, German] | CAS-111-76-2 | Ethylene glycol mono butyl ether | BUTOXYETHANOL [INCI] |

Specifications & Purity

Standard for GC, ≥99.5%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

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

Grade

Standard for GC

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: CCCCOCCO
• IUPAC Name: 2-butoxyethanol
• InChIKey: POAOYUHQDCAZBD-UHFFFAOYSA-N
• INCHI: 1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
• Isomeric SMILES: CCCCOCCO
• WGK Germany: 1
• RTECS: KJ8575000
• UN Number: 2810
• Packing Group: III
• Molecular Weight: 118.17
• Beilstein: 1732511
• Reaxy-Rn: 1732511
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732511&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• 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: ether - primary alcohol

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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Skin (286 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Oryctolagus cuniculus (11301 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in most organic solvents such as water, ethanol, and ether.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.4198
• Flash Point(°C): 61.1℃
• Boil Point(°C): 171°C
• Melt Point(°C): -75°C
• Molecular Weight: 118.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 118.099 Da
• Monoisotopic Mass: 118.099 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 37.500
• 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

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