Propynol ethoxylate - ≥80% , CAS No.3973-18-0

CAS: 3973-18-0 Cat. No.: P189135 Formula: C₅H₈O₂ Molecular Weight: 100.12 EC Number: 223-601-1 PubChem CID: 77596

GRADE & PURITY ≥80%

Synonyms

EINECS 223-601-1 | BP-21657 | AS-18649 | Propynol ethoxylate 90% | 2-(prop-2-yn-1-yloxy)ethan-1-ol | Almecilline | Ethanol, 2-(2-propynyloxy)- | AMY28705 | 2-prop-2-ynoxyethanol | HY-43614 | Propyne-PEG1-OH | SCHEMBL1029887 | 2-propargyloxyethanol | Ethan

Storage

Room temperature

Shipped In

Normal

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Synonyms

EINECS 223-601-1 | BP-21657 | AS-18649 | Propynol ethoxylate 90% | 2-(prop-2-yn-1-yloxy)ethan-1-ol | Almecilline | Ethanol, 2-(2-propynyloxy)- | AMY28705 | 2-prop-2-ynoxyethanol | HY-43614 | Propyne-PEG1-OH | SCHEMBL1029887 | 2-propargyloxyethanol | Ethan

Specifications & Purity

≥80%

Storage

Room temperature

Shipped In

Normal

Purity

≥80%

Names and Identifiers

Pubchem Sid

488185431

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185431

Canonical Smiles

C#CCOCCO

IUPAC Name

2-prop-2-ynoxyethanol

InChIKey

GHGCQQRMJCSIBQ-UHFFFAOYSA-N

INCHI

1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2

Isomeric SMILES

C#CCOCCO

PubChem CID

77596

Molecular Weight

100.12

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: Acetylides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - 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: 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

Chemical and Physical Properties

• Molecular Weight: 100.120 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 69.400
• 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

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥80% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 3973-18-0, the molecular formula is C5H8O2, and the molecular weight is 100.12 g/mol. InChIKey GHGCQQRMJCSIBQ-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.