Propyl gallate - ≥98%, used for Propyl gallate is an anti-fade reagent in fluorescence microscopy to reduce photobleaching of fluorescent probes such as rhodamine and fluorescein. Propyl gallate can inhibit the production of acrolein, glyoxal and methylg

CAS: 121-79-9 Cat. No.: P108603 Summenformel: C₁₀H₁₂O₅ Molekulargewicht: 212.2 Beilstein Registry Number: 1877976 EG-Nummer: 204-498-2

QUALITÄT & REINHEIT ≥98%

Synonyms

CAS-121-79-9 | n-Propyl 3,5-trihydroxybenzoate | PROPYL GALLATE [II] | CBDivE_013134 | INS NO.310 | PROPYL GALLATE [EP MONOGRAPH] | Propylester kyseliny gallove [Czech] | Gallate, Propyl | Propyl gallate, >=98%, FCC | EINECS 204-498-2 | Propylgallate,(S)

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Übersicht

Propyl gallate is a common food antioxidant.

Spezifikationen

Synonyme

CAS-121-79-9 | n-Propyl 3,5-trihydroxybenzoate | PROPYL GALLATE [II] | CBDivE_013134 | INS NO.310 | PROPYL GALLATE [EP MONOGRAPH] | Propylester kyseliny gallove [Czech] | Gallate, Propyl | Propyl gallate, >=98%, FCC | EINECS 204-498-2 | Propylgallate,(S)

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

An antioxidant that exhibits antimicrobial activity. Propyl gallate has been reported to be an effective antioxidant-based hepatoprotector, both in vitro and in vivo. It has also been shown to prevent neuronal apoptosis and block the death of neurons expo

Anmeldung

Propyl gallate is an anti-fade reagent in fluorescence microscopy to reduce photobleaching of fluorescent probes such as rhodamine and fluorescein. Propyl gallate can inhibit the production of acrolein, glyoxal and methylglyoxal. Propyl gallate exhibits

Storage

Protected from light,Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488179869

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179869

Kanonisches Lächeln

CCCOC(=O)C1=CC(=C(C(=C1)O)O)O

IUPAC Name

propyl 3,4,5-trihydroxybenzoate

InChIKey

ZTHYODDOHIVTJV-UHFFFAOYSA-N

INCHI

1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3

Isomere SMILES

CCCOC(=O)C1=CC(=C(C(=C1)O)O)O

WGK Deutschland

2

RTECS

LW8400000

Molekulargewicht

212.2

Beilstein

1877976

Reaxy-Rn

1877976

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1877976&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Hydroxybenzoic acid derivatives
          • Ebene6 Gallic acid and derivatives
            • Ebene7 Galloyl esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Gallic acid and derivatives
• Direct Parent: Galloyl esters
• Alternative Parents: p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Galloyl ester - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzenetriol - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Polyol - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid.
• External Descriptors: a small molecule

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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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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U-251 (51189 Activities)

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pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Nannizzia gypsea (2039 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Ralstonia solanacearum (520 Activities)

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Proteus vulgaris (5823 Activities)

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Corynebacterium ammoniagenes (75 Activities)

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Cutibacterium acnes (887 Activities)

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Aspergillus fumigatus (16427 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Candida tropicalis (8381 Activities)

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Cavia porcellus (23802 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Rattus norvegicus (775804 Activities)

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Salmonella enterica (1497 Activities)

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L929 (3802 Activities)

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Coptotermes formosanus (677 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in water: Practically Insoluble; Degree of Solubility in water: 3.5 g/l 25 °C; Very soluble in Alcohol; Soluble in Ether
• Empfindlichkeit: Light sensitive；air sensitive
• Flammpunkt (°F): 187 °C
• Flammpunkt (°C): 187°C
• Schmelzpunkt (°C): 146-149°C
• Molekulargewicht: 212.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 212.068 Da
• Monoisotopic Mass: 212.068 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 206.000
• 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