3-Methyl-3-oxetanemethanol - ≥97% , CAS No.3143-02-0

CAS: 3143-02-0 Cat. No.: M104534 Molecular Weight: 102.13 Beilstein Registry Number: 102773 EC Number: 684-156-0

GRADE & PURITY ≥97%

Synonyms

3-Methyl-3-oxetanemethanol | GS-3568 | DTXSID90185350 | PB20862 | (3-methyloxetane-3-yl)methanol | F0001-0003 | FEMA 2768 | M1136 | (3-Methyl-3-oxetanyl)methanol # | AKOS000121533 | SY014484 | 2-(Hydroxymethyl)-2-methyl-1,3-epoxypropane | 3-methyloxetane-

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

3-Methyl-3-oxetanemethanol has been used in the preparation of: · star-shaped copolymer consisting of a hyperbranched poly(3-methyl-3-oxetanemethanol) core and polytetrahydrofuran arms · pyridyl disulfide-functionalized cyclic carbonate monomer, required for the synthesis of of functional poly(ε-caprolactone) containing pendant pyridyl disulphide groups · δ-lactams

Specifications

Synonyms

3-Methyl-3-oxetanemethanol | GS-3568 | DTXSID90185350 | PB20862 | (3-methyloxetane-3-yl)methanol | F0001-0003 | FEMA 2768 | M1136 | (3-Methyl-3-oxetanyl)methanol # | AKOS000121533 | SY014484 | 2-(Hydroxymethyl)-2-methyl-1, 3-epoxypropane | 3-methyloxetane-

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504757136
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757136
• Canonical Smiles: CC1(COC1)CO
• IUPAC Name: (3-methyloxetan-3-yl)methanol
• InChIKey: NLQMSBJFLQPLIJ-UHFFFAOYSA-N
• INCHI: 1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
• Isomeric SMILES: CC1(COC1)CO
• WGK Germany: 3
• Molecular Weight: 102.13
• Beilstein: 102773
• Reaxy-Rn: 102773
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102773&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in chloroform, methanol.
• Sensitivity: Heat Sensitive
• Refractive Index: 1.446
• Flash Point(°F): 206.6 °F
• Flash Point(°C): 97 °C
• Boil Point(°C): 80°C
• Molecular Weight: 102.130 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 66.500
• 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