3-Ethoxy-1,2-propanediol - ≥98% , CAS No.1874-62-0

CAS: 1874-62-0 Cat. No.: E305267 分子式: C₅H₁₂O₃ 分子量: 120.15 EC番号: 217-503-8

GRADE & PURITY ≥98%

Synonyms

1,2-Propanediol, 3-ethoxy- | DTXSID10870918 | AS-58089 | SCHEMBL33689 | 3-Ethoxy-2-propanediol | AMY318 | NSC227880 | NSC-227880 | MLS000573782 | N,N-Dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline | AKOS008105075 | 3-Ethoxy-1,2-propanediol, 98% | alpha-

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

同義語

1,2-Propanediol, 3-ethoxy- | DTXSID10870918 | AS-58089 | SCHEMBL33689 | 3-Ethoxy-2-propanediol | AMY318 | NSC227880 | NSC-227880 | MLS000573782 | N,N-Dimethyl-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline | AKOS008105075 | 3-Ethoxy-1,2-propanediol, 98% | alpha-

仕様と純度

≥98%

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504756206

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504756206

カノニカル・スマイル

CCOCC(CO)O

IUPAC Name

3-ethoxypropane-1,2-diol

InChIKey

LOSWWGJGSSQDKH-UHFFFAOYSA-N

INCHI

1S/C5H12O3/c1-2-8-4-5(7)3-6/h5-7H,2-4H2,1H3

異性体SMILES

CCOCC(CO)O

分子量

120.15

Reaxy-Rn

1734312

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734312&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Glycerolipids
      • Subclass Monoradylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Glycerolipids
• Subclass: Monoradylglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Monoalkylglycerols
• Alternative Parents: 1-O-alkylglycerols Glycerol ethers Secondary alcohols 1,2-diols Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monoalkylglycerol - 1-o-alkylglycerol - Glycerol ether - Secondary alcohol - 1,2-diol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as monoalkylglycerols. These are glycerolipids containing exactly one aliphatic chain linked to the glycerol moiety. This chain is the only one linked to the glycerol.
• 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

化学的性質と物理的性質

• 感度: Hygroscopic
• 屈折率: n20/D 1.441 (lit.)
• 引火点（°C）: 99.5ºC
• 沸点（°C）: 222 °C (lit.)
• 分子量: 120.150 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 120.079 Da
• Monoisotopic Mass: 120.079 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 46.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 1874-62-0, the molecular formula is C5H12O3, and the molecular weight is 120.15 g/mol. InChIKey LOSWWGJGSSQDKH-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.