1,5-Pentanediol - ≥97% , CAS No.111-29-5

CAS: 111-29-5 Cat. No.: P105588 Fórmula: C₅H₁₂O₂ Peso molecular: 104.15 Beilstein Registry Number: 1560130 Número CE: 203-854-4

GRADE & PURITY ≥97%

Synonyms

BP-30035 | DTXSID2041256 | SCHEMBL18788 | HSDB 6807 | .omega.-Pentanediol | 1,5-Pentylene glycol | 4-01-00-02540 (Beilstein Handbook Reference) | J-002554 | NSC5927 | NSC-5927 | 1,5-pentane diol | CHEBI:185431 | DTXCID0021256 | WLN: Q5Q | 1,5-Pentanediol,

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

application：

1,5-Pentanediol is used as a plasticizer in cellulose products and adhesives. It is used as a brake fluid additive. It reacts with 3,4-dihydro-2H-pyran to get 5-tetrahydropyran-2-yloxy-pentan-1-ol. It is also used to prepare polyesters for emulsifying agents and resin intermediates. Further, it is used in ink, toner and colorant products. In addition to this, it is used in brake fluid compositions.

1,5-Pentanediol can be used in a modified polyol process for the preparation of colloidal gold nanoparticles. It is also the starting material for preparing 1,5‐pentanediol dibenzoate.

Specifications

Sinónimos

BP-30035 | DTXSID2041256 | SCHEMBL18788 | HSDB 6807 | .omega.-Pentanediol | 1,5-Pentylene glycol | 4-01-00-02540 (Beilstein Handbook Reference) | J-002554 | NSC5927 | NSC-5927 | 1,5-pentane diol | CHEBI:185431 | DTXCID0021256 | WLN: Q5Q | 1,5-Pentanediol,

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504751579

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751579

Sorrisos canónicos

C(CCO)CCO

IUPAC Name

pentane-1,5-diol

InChIKey

ALQSHHUCVQOPAS-UHFFFAOYSA-N

INCHI

1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2

SMILES isoméricas

C(CCO)CCO

WGK Alemanha

1

RTECS

SA0480000

Peso molecular

104.15

Beilstein

1560130

Reaxy-Rn

1560130

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560130&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Miscible with water, soluble in methanol, ethanol, and acetone.
• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.449-1.451
• Ponto de inflamação (°F): 276.8 °F
• Ponto de inflamação (°C): 135℃
• Ponto de ebulição (°C): 242.4°C
• Ponto de fusão (°C): -18°C
• Peso molecular: 104.150 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 104.084 Da
• Monoisotopic Mass: 104.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 25.300
• 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

Perguntas frequentes

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

The CAS Number is 111-29-5, the molecular formula is C5H12O2, and the molecular weight is 104.15 g/mol. InChIKey ALQSHHUCVQOPAS-UHFFFAOYSA-N.

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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.