Sinapyl alcohol - Moligand™, ≥95% , CAS No.537-33-7

CAS: 537-33-7 Cat. No.: S334586 Summenformel: HOC₆H₂(OCH₃)2CH=CHCH₂OH Molekulargewicht: 210.23 EG-Nummer: 664-272-8 PubChem CID: 5280507

GRADE & PURITY Moligand™, ≥95%

Synonyms

(E)-sinapoyl alcohol | 2EC125E6-3813-49EE-903E-5730561A1B09 | 2-Propen-1-ol, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)- | 2-Propen-1-ol, 3-(4-hydroxy-3,5-dimethoxyphenyl), (E)- | CHEBI:28813 | CHEBI:64557 | EN300-1866966 | (E)-3-(4-hydroxy-3,5-dimethoxyphen

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

(E)-sinapoyl alcohol | 2EC125E6-3813-49EE-903E-5730561A1B09 | 2-Propen-1-ol, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)- | 2-Propen-1-ol, 3-(4-hydroxy-3,5-dimethoxyphenyl), (E)- | CHEBI:28813 | CHEBI:64557 | EN300-1866966 | (E)-3-(4-hydroxy-3,5-dimethoxyphen

Spezifikationen & Reinheit

Moligand™, ≥95%

Storage

Protected from light,Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥95%

Produkteigenschaften

• pKa: pKa: 10.06 (Predicted)

Namen und Kennungen

• Pubchem Sid: 488195209
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195209
• Kanonisches Lächeln: COC1=CC(=CC(=C1O)OC)C=CCO
• IUPAC Name: 4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenol
• InChIKey: LZFOPEXOUVTGJS-ONEGZZNKSA-N
• INCHI: 1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+
• Isomere SMILES: COC1=CC(=CC(=C1O)OC)/C=C/CO
• WGK Deutschland: 3
• PubChem CID: 5280507
• Molekulargewicht: 210.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Dimethoxybenzenes Cinnamyl alcohols Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamyl alcohol - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Alcohol - Primary alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: Sinapate derivatives

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (Partly miscible).
• Empfindlichkeit: Air sensitive；Light sensitive
• Brechungsindex: n20D1.59 (Predicted)
• Siedepunkt (°C): ~384.7° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 61-65° C (lit.)
• Molekulargewicht: 210.230 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 210.089 Da
• Monoisotopic Mass: 210.089 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 191.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referenzen

1. Xu Yu, Li Yu, Fei Ma, Peiwu Li.  (2020)  Quantification of phenolic compounds in vegetable oils by mixed-mode solid-phase extraction isotope chemical labeling coupled with UHPLC-MS/MS.  FOOD CHEMISTRY,      [PMID:32721834] [10.1016/j.foodchem.2020.127572]

2. Yunxuan Liu, Xinjia Wang, Rong Lian, Yan Zhao, Yurong Zhou, Yuan Yu, Wenqin She, Zhixiong Guo, Heli Pan, Tengfei Pan.  (2026)  Genome-Wide Identification of CmPOD Genes and Partial Functional Characterization of CmPOD52 in Lignin-Related Granulation of ‘Sanhong’ Pomelo (Citrus maxima).  Horticulturae,  12  (1): (106).  [PMID:] [10.3390/horticulturae12010106]