Allyl Methyl Carbonate - ≥98%(GC) , CAS No.35466-83-2

CAS: 35466-83-2 Cat. No.: A136273 Molecular Weight: 116.12 EC Number: 628-529-8

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID30109313 | A858167 | EN300-190723 | MFCD00134545 | SCHEMBL28206 | Carbonic Acid Allyl Methyl Ester | Carbonic acid, methyl 2-propenyl ester | Allyl methyl carbonate, 98% | YHLVIDQQTOMBGN-UHFFFAOYSA- | FT-0755463 | methyl prop-2-enyl carbonate | Ally

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID30109313 | A858167 | EN300-190723 | MFCD00134545 | SCHEMBL28206 | Carbonic Acid Allyl Methyl Ester | Carbonic acid, methyl 2-propenyl ester | Allyl methyl carbonate, 98% | YHLVIDQQTOMBGN-UHFFFAOYSA- | FT-0755463 | methyl prop-2-enyl carbonate | Ally

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488190177
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190177
• Canonical Smiles: COC(=O)OCC=C
• IUPAC Name: methyl prop-2-enyl carbonate
• InChIKey: YHLVIDQQTOMBGN-UHFFFAOYSA-N
• INCHI: 1S/C5H8O3/c1-3-4-8-5(6)7-2/h3H,1,4H2,2H3
• Isomeric SMILES: COC(=O)OCC=C
• Molecular Weight: 116.12
• Reaxy-Rn: 1746960
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1746960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid diester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carbonic acid diesters. These are compounds comprising the carbonic acid diester functional group.
• 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

• Sensitivity: heat and Moisture sensitive
• Refractive Index: 1.41
• Flash Point(°F): 91.4 °F
• Flash Point(°C): 33°C(lit.)
• Boil Point(°C): 131 °C
• Molecular Weight: 116.110 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 116.047 Da
• Monoisotopic Mass: 116.047 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 87.700
• 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