Ethyl 4-hydroxybenzoate - 10mM in DMSO , CAS No.120-47-8

CAS: 120-47-8 Cat. No.: E420899 Formule: C₉H₁₀O₃ Poids moléculaire: 166.17 Beilstein Registry Number: 1101972 Numéro CE: 204-399-4

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

ETHYL HYDROXYBENZOATE [WHO-DD] | 4-Hydroxybenzoic acid ethyl ester | 4-Hydroxy-benzoic acid ethyl ester | bmse010255 | Ethyl 4-Hydroxybenzoate,(S) | ETHYL HYDROXYBENZOATE [WHO-IP] | BBL012166 | MFCD00002353 | Nipazin A | Bonomold OE | Ethyl parahydroxyben

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Ethyl Paraben is an anti-microbial agent used in cosmetic products.
An anti-microbial agent.

Spécifications

Synonymes

ETHYL HYDROXYBENZOATE [WHO-DD] | 4-Hydroxybenzoic acid ethyl ester | 4-Hydroxy-benzoic acid ethyl ester | bmse010255 | Ethyl 4-Hydroxybenzoate,(S) | ETHYL HYDROXYBENZOATE [WHO-IP] | BBL012166 | MFCD00002353 | Nipazin A | Bonomold OE | Ethyl parahydroxyben

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.

Product Line

E420899-1ml

Noms et identifiants

Pubchem Sid

528771506

Sourires canoniques

CCOC(=O)C1=CC=C(C=C1)O

IUPAC Name

ethyl 4-hydroxybenzoate

InChIKey

NUVBSKCKDOMJSU-UHFFFAOYSA-N

INCHI

1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

Isomères SMILES

CCOC(=O)C1=CC=C(C=C1)O

WGK Allemagne

1

RTECS

DH2190000

Poids moléculaire

166.17

Beilstein

1101972

Reaxy-Rn

1101972

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1101972&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzoic acid esters
          • Level6 p-Hydroxybenzoic acid esters
            • Level7 p-Hydroxybenzoic acid alkyl esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acid esters - p-Hydroxybenzoic acid esters
• Direct Parent: p-Hydroxybenzoic acid alkyl esters
• Alternative Parents: Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-hydroxybenzoic acid alkyl ester - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-hydroxybenzoic acid alkyl esters. These are aromatic compounds containing a benzoic acid, which is esterified with an alkyl group and para-substituted with a hydroxyl group.
• External Descriptors: benzoate ester

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: Light sensitive.
• Point d'ébullition (°C): 297-298℃
• Point de fusion (°C): 115-118°C
• Poids moléculaire: 166.170 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 148.000
• 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