1,4-Dioxane - Suitable for Analysis, ACS, Premium pure , CAS No.123-91-1

CAS: 123-91-1 Cat. No.: D431641 Formula: C₄H₈O₂ Molecular Weight: 88.11 Beilstein Registry Number: 102551 EC Number: 204-661-8

GRADE & PURITY Suitable for Analysis, ACS, Premium pure

Synonyms

1-4-dioxane|Dioksan|Dioxane-1,4|Dioxane 1.4|Glycolethylenether|Dioxane|1,4- dioxane|1,4 -dioxane|1-4 Dioxane|Dioxyethylene ether|p-Dioxan|Dioxan|1,4-Diethylene dioxide|1,4-Dioxanne [French]|1,4 dioxan|1,4 -dioxan|1,4-Diethylenedioxide|1,4-DIOXANE [HSDB]|Diokan|1.4-dioxane|1,4dioxane|1,-4-dioxane|1,4-DIOXANE|1,4-di-oxane|1,4-DIOXANE [USP-RS]|1 ,4-dioxane|1 ,4-dioxan|Tetrahydro-p-dioxin|1,4dioxan|1,4-Dioxan|Dioxanne|Glycol ethylene ether 8|1,4-Dioxane, anhydrous|RCRA waste number U108|Diossano-1,4 [Italian]|Dioxaan-1,4|Dioxanne [French]|p-Dioxan [Czech]|Tetrahydro-para-dioxin|1,4,-dioxane|Dioksan [Polish]|Diossano-1,4|p-Dioxin, tetrahydro-|RCRA waste no. U108|1, 4 dioxane|1,4-DIOXANE [IARC]|Diethylene dioxide|1,4-Diethyleneoxide|Dioxane [UN1165] [Flammable liquid]|P-Doxane|p-Dioxane|1,4-Dioxin, tetrahydro-|NE 220|Dioxaan-1,4 [Dutch]|paradioxane|Dioxan-1,4|Tetrahydro-1,4-dioxin|1,4-Dioxanne|DIOXAN [MART.]|Dioxan-1,4 [German]|1, 4-dioxane|Diethylene ether|Glycol ethylene ether|Di(ethylene oxide)|[1,4]dioxane|[1,4]-dioxane

Storage

Room temperature

Shipped In

FedEx DG Service

Overview

General Description

EMSURE grade solvents are suitable for a broad spectrum of classical lab applications, and are frequently used in regulated and highly demanding lab applications. EMSURE provides worldwide best and most extensive product specifications. We declare our EMSURE range to be in compliance with the ACS, with the reagent part of the European Pharmacopoeia (Reag. Ph Eur) and also with the ISO standards.

Specifications

Synonyms

1-4-dioxane | Dioksan | Dioxane-1,4 | Dioxane 1.4 | Glycolethylenether | Dioxane | 1,4- dioxane | 1,4 -dioxane | 1-4 Dioxane | Dioxyethylene ether | p-Dioxan | Dioxan | 1,4-Diethylene dioxide | 1,4-Dioxanne [French] | 1,4 dioxan | 1,4 -dioxan | 1,4-Diethylenedioxide | 1,4-DIOXANE [HSDB] | Diokan | 1.4-dioxane | 1,4dioxane | 1,-4-dioxane | Show more

Specifications & Purity

Suitable for Analysis, ACS, Premium pure

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

ACS, Premium pure, Suitable for Analysis

Names and Identifiers

Pubchem Sid

504753450

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753450

Canonical Smiles

C1COCCO1

IUPAC Name

1,4-dioxane

InChIKey

RYHBNJHYFVUHQT-UHFFFAOYSA-N

INCHI

1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2

Isomeric SMILES

C1COCCO1

WGK Germany

2

RTECS

JG8225000

UN Number

1165

Packing Group

II

Molecular Weight

88.11

Beilstein

102551

Reaxy-Rn

102551

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102551&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-dioxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• External Descriptors: a small molecule

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Freezing Point(°C): 11 °C
• Refractive Index: 1.4175
• Flash Point(°F): 51.8 °F - closed cup
• Flash Point(°C): 11℃ - closed cup
• Boil Point(°C): 101.1°C
• Melt Point(°C): 11.8°C
• Molecular Weight: 88.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 88.0524 Da
• Monoisotopic Mass: 88.0524 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 26.500
• 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

Frequently Asked Questions

What does Suitable for Analysis mean?

Suitable for Analysis is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Suitable for Analysis is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

What does ACS mean?

ACS is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. ACS is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 123-91-1, the molecular formula is C4H8O2, and the molecular weight is 88.11 g/mol. InChIKey RYHBNJHYFVUHQT-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.