3-Vinylanisole - ≥97% , CAS No.626-20-0

CAS: 626-20-0 Cat. No.: V469467 Formula: C₆H₄(OCH₃)CHCH₂ Molecular Weight: 134.18 PubChem CID: 584146

GRADE & PURITY ≥97%

Synonyms

3-Vinylanisole | 3-vinyl-anisole | DTXSID90342749 | 3-methoxystyrene | m-vinylanisole | MFCD03427262 | 3-Vinylanisole (3-Methoxystyrene), stabilized with 4-t-Butylcatechol | 1-Methoxy-3-vinylbenzene # | SY032033 | 3-Vinylanisole, 97% | 3-VINYLANISOLE 97

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Inhibited with 1000ppmp-tert-butylcatechol

Specifications

Synonyms

3-Vinylanisole | 3-vinyl-anisole | DTXSID90342749 | 3-methoxystyrene | m-vinylanisole | MFCD03427262 | 3-Vinylanisole (3-Methoxystyrene), stabilized with 4-t-Butylcatechol | 1-Methoxy-3-vinylbenzene # | SY032033 | 3-Vinylanisole, 97% | 3-VINYLANISOLE 97

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

Canonical Smiles

COC1=CC=CC(=C1)C=C

IUPAC Name

1-ethenyl-3-methoxybenzene

InChIKey

PECUPOXPPBBFLU-UHFFFAOYSA-N

INCHI

1S/C9H10O/c1-3-8-5-4-6-9(7-8)10-2/h3-7H,1H2,2H3

Isomeric SMILES

COC1=CC=CC(=C1)C=C

WGK Germany

3

PubChem CID

584146

Molecular Weight

134.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Styrene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Refractive Index: 1.5540 (lit.)
• Flash Point(°F): 170.6 °F
• Flash Point(°C): 77 °C
• Boil Point(°C): 204-205° C (lit.)
• Molecular Weight: 134.170 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.073 Da
• Monoisotopic Mass: 134.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 109.000
• 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