3-Methoxy-1,2-propanediol - ≥98%(GC) , CAS No.623-39-2

CAS: 623-39-2 Cat. No.: M135227 Summenformel: C₄H₁₀O₃ Molekulargewicht: 106.12 Beilstein Registry Number: 1512 EG-Nummer: 210-791-6

GRADE & PURITY ≥98%(GC)

Synonyms

UNII-4G03VY2NKP | MFCD19228123 | Q27259541 | CAS-623-39-2 | DTXSID3049336 | NSC 6752 | NSC6752 | NSC-6752 | CHEBI:180970 | 3-Methoxy-propane-1,2 -diol | 3-METHOXY-1,2-DIHYDROXYPROPANE | A823439 | AS-17523 | FT-0615961 | Tox21_202859 | 1-METHOXY-2,3-PROPAN

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Übersicht

application：

3-Methoxy-1,2-propanediol is used to prepare phosphorothioate analogs of sn-2 radyl lysophosphatidic acid as metabolically stabilized LPA receptor agonists. It is also used to synthesize diacylglycerol analogs as potential second-messenger antagonists.

Specifications

Synonyme

UNII-4G03VY2NKP | MFCD19228123 | Q27259541 | CAS-623-39-2 | DTXSID3049336 | NSC 6752 | NSC6752 | NSC-6752 | CHEBI:180970 | 3-Methoxy-propane-1,2 -diol | 3-METHOXY-1,2-DIHYDROXYPROPANE | A823439 | AS-17523 | FT-0615961 | Tox21_202859 | 1-METHOXY-2,3-PROPAN

Spezifikationen & Reinheit

≥98%(GC)

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

504756141

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756141

Kanonisches Lächeln

COCC(CO)O

IUPAC Name

3-methoxypropane-1,2-diol

InChIKey

PSJBSUHYCGQTHZ-UHFFFAOYSA-N

INCHI

1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3

Isomere SMILES

COCC(CO)O

RTECS

TY8170000

Molekulargewicht

106.12

Beilstein

1512

Reaxy-Rn

1719407

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719407&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Glycerolipids
      • Subclass Glycerol ethers

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Glycerolipids
• Subclass: Glycerol ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Glycerol ethers
• Alternative Parents: Secondary alcohols 1,2-diols Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glycerol ether - Secondary alcohol - 1,2-diol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as glycerol ethers. These are lipids containing an ether derivative of 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in water: Soluble in water
• Empfindlichkeit: Sensitive to light; sensitive to heat; Hygroscopic
• Brechungsindex: 1.4440
• Flammpunkt (°C): >110℃
• Siedepunkt (°C): 218-220℃
• Molekulargewicht: 106.120 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 106.063 Da
• Monoisotopic Mass: 106.063 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 37.900
• 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