2,6-diallylphenol - ≥98% , CAS No.3382-99-8

CAS: 3382-99-8 Cat. No.: D489342 Summenformel: C₁₂H₁₄O Molekulargewicht: 174.24

GRADE & PURITY ≥98%

Synonyms

NSC 59839 | SCHEMBL168974 | Phenol, 2,6-di-2-propenyl- | 2,6-Di(prop-2-en-1-yl)phenol | EINECS 222-186-4 | Phenol, 2,6-diallyl-, | RMXNSQWYMVTLEU-UHFFFAOYSA-N | NSC59839 | NSC-59839 | FT-0610527 | 4-06-00-04087 (Beilstein Handbook Reference) | BRN 2085890

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

NSC 59839 | SCHEMBL168974 | Phenol, 2,6-di-2-propenyl- | 2,6-Di(prop-2-en-1-yl)phenol | EINECS 222-186-4 | Phenol, 2,6-diallyl-, | RMXNSQWYMVTLEU-UHFFFAOYSA-N | NSC59839 | NSC-59839 | FT-0610527 | 4-06-00-04087 (Beilstein Handbook Reference) | BRN 2085890

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C=CCC1=C(C(=CC=C1)CC=C)O
• IUPAC Name: 2,6-bis(prop-2-enyl)phenol
• InChIKey: RMXNSQWYMVTLEU-UHFFFAOYSA-N
• INCHI: 1S/C12H14O/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-5,8-9,13H,1-2,6-7H2
• Isomere SMILES: C=CCC1=C(C(=CC=C1)CC=C)O
• Molekulargewicht: 174.24
• Reaxy-Rn: 2085890
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085890&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• 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

• Molekulargewicht: 174.240 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 174.104 Da
• Monoisotopic Mass: 174.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 156.000
• 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