Syringaldehyde - 10mM in DMSO , CAS No.134-96-3

CAS: 134-96-3 Cat. No.: S421315 Formule: C₉H₁₀O₄ Poids moléculaire: 182.17 Beilstein Registry Number: 784514 Numéro CE: 205-167-5 PubChem CID: 8655

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

AC-7993 | 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish] | Syringylaldehyde | AP-065/41884112 | bmse010204 | STK801968 | Benzaldehyde, 3,5-dimethoxy-4-hydroxy- | Q411695 | 4-Hydroksy-3,5-dwumetoksybenzaldehyd | Cedar aldehyde | MFCD00006943 | syringaldehye

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Spécifications

Synonymes

AC-7993 | 4-Hydroksy-3,5-dwumetoksybenzaldehyd [Polish] | Syringylaldehyde | AP-065/41884112 | bmse010204 | STK801968 | Benzaldehyde, 3,5-dimethoxy-4-hydroxy- | Q411695 | 4-Hydroksy-3,5-dwumetoksybenzaldehyd | Cedar aldehyde | MFCD00006943 | syringaldehye

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528768970

Sourires canoniques

COC1=CC(=CC(=C1O)OC)C=O

IUPAC Name

4-hydroxy-3,5-dimethoxybenzaldehyde

InChIKey

KCDXJAYRVLXPFO-UHFFFAOYSA-N

INCHI

1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3

Isomères SMILES

COC1=CC(=CC(=C1O)OC)C=O

WGK Allemagne

3

RTECS

CU5760000

PubChem CID

8655

Numéro ONU

1988

Poids moléculaire

182.17

Beilstein

784514

Reaxy-Rn

784514

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Dimethoxybenzenes Hydroxybenzaldehydes Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Ether - Organooxygen compound - Aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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: dimethoxybenzene - hydroxybenzaldehyde

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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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air & Light sensitive.
• Point d'ébullition (°C): 192-193°C
• Point de fusion (°C): 110-113°C
• Poids moléculaire: 182.170 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 157.000
• 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