Syringaldehyde - ≥98% , CAS No.134-96-3

CAS: 134-96-3 Cat. No.: S106250 Formula: C₉H₁₀O₄ Molecular Weight: 182.17 Beilstein Registry Number: 784514 EC Number: 205-167-5 PubChem CID: 8655

GRADE & PURITY ≥98%

Synonyms

Syringylaldehyde | 3,5-Dimethoxy-4-hydroxybenzaldehyde | Syringic aldehyde | 4-Hydroxy-3,5-dimethoxybenzaldehyde | Gallaldehyde 3,5-dimethyl ether | Springaldehyde

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

Syringylaldehyde | 3,5-Dimethoxy-4-hydroxybenzaldehyde | Syringic aldehyde | 4-Hydroxy-3,5-dimethoxybenzaldehyde | Gallaldehyde 3,5-dimethyl ether | Springaldehyde

Specifications & Purity

≥98%

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488180851

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180851

Canonical Smiles

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

Isomeric SMILES

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

WGK Germany

3

RTECS

CU5760000

PubChem CID

8655

UN Number

1988

Molecular Weight

182.17

Beilstein

784514

Reaxy-Rn

784514

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Associated Targets(Human)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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HT-29 (80576 Activities)

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OVCAR-3 (48710 Activities)

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Raji (5516 Activities)

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MDA-MB-435 (38290 Activities)

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MDA-MB-231 (73002 Activities)

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RELA Tchem Nuclear factor NF-kappa-B p65 subunit (627 Activities)

Discover Target: RELA

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Associated Targets(non-human)

Mycobacterium tuberculosis (203094 Activities)

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Rattus norvegicus (775804 Activities)

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L1210 (27553 Activities)

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RAW264.7 (28094 Activities)

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L6 (7924 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Very sparingly soluble in water.
• Sensitivity: Air & Light sensitive.
• x_boil_point_char: 192-193°C
• x_melt_point_char: 110-113°C
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, protected from light, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 134-96-3, the molecular formula is C9H10O4, and the molecular weight is 182.17 g/mol. InChIKey KCDXJAYRVLXPFO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.