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

CAS: 623-39-2 Cat. No.: M135227 Molecular Weight: 106.12 Beilstein Registry Number: 1512 EC Number: 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,Argon charged,Room temperature

Shipped In

Normal

Overview

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

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

Specifications & Purity

≥98%(GC)

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504756141
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756141
• Canonical Smiles: 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
• Isomeric SMILES: COCC(CO)O
• RTECS: TY8170000
• Molecular Weight: 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
    • Class Glycerolipids
      • Subclass Glycerol ethers

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility in water: Soluble in water
• Sensitivity: Sensitive to light; sensitive to heat; Hygroscopic
• Refractive Index: 1.4440
• Flash Point(°C): >110℃
• Boil Point(°C): 218-220℃
• Molecular Weight: 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

References

1. Taoyan Mao, Runhui Xiao, Peng Liu, Jiale Chen, Junqiang Luo, Su Luo, Fengwei Xie, Cheng Zheng.  (2022)  Facile fabrication of durable superhydrophobic fabrics by silicon polyurethane membrane for oil/water separation.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2022.05.003]

2. Xiuzhi Duan, Yanhong Cui, Chao Zhang, Bao Gao, Dongshun Deng.  (2019)  Solubilities and Thermodynamic Properties of NH3 in Glycerin and its Derivatives.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.8b01042]