Benzyl 4-hydroxybenzoate - ≥98% , CAS No.94-18-8

CAS: 94-18-8 Cat. No.: B102189 Summenformel: C₁₄H₁₂O₃ Molekulargewicht: 228.24 Beilstein Registry Number: 2115995 EG-Nummer: 202-311-9

GRADE & PURITY ≥98%

Synonyms

EN300-7101475 | BENZYL HYDROXYBENZOATE [WHO-DD] | STL226811 | SY049476 | NCGC00164155-02 | Tox21_302330 | 4-Hydroxybenzoic acid-benzyl ester | Benzyl 4-hydroxybenzoate, 99% | NSC 8080 | Z19674825 | Benzyl Tegosept | Tox21_112088_1 | SMR001600273 | SR-0100

Storage

Room temperature

Shipped In

Normal

Übersicht

Benzyl Paraben is an anti-microbial
It may be used as internal standard for the simultaneous analysis of non-steroidal anti-inflammatory drugs in human plasma and urine using microextraction by packed sorbent and HPLC method;And it may be employed as internal standard for the HPLC determination of rutin, kaempferol, genistein, formononetin and biochanin A in Ononis spinosu roots.

Specifications

Synonyme

EN300-7101475 | BENZYL HYDROXYBENZOATE [WHO-DD] | STL226811 | SY049476 | NCGC00164155-02 | Tox21_302330 | 4-Hydroxybenzoic acid-benzyl ester | Benzyl 4-hydroxybenzoate, 99% | NSC 8080 | Z19674825 | Benzyl Tegosept | Tox21_112088_1 | SMR001600273 | SR-0100

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488180325

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180325

Kanonisches Lächeln

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O

IUPAC Name

benzyl 4-hydroxybenzoate

InChIKey

MOZDKDIOPSPTBH-UHFFFAOYSA-N

INCHI

1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2

Isomere SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O

WGK Deutschland

3

RTECS

DH2691000

UN-Nummer

3077

Molekulargewicht

228.24

Beilstein

2115995

Reaxy-Rn

2115995

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2115995&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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: Benzyloxycarbonyls 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 - Benzyloxycarbonyl - 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
• Beschreibung: 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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LMNA Tbio Prelamin-A/C (36751 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 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: Soluble in Methanol
• Schmelzpunkt (°C): 109-112°C
• Molekulargewicht: 228.240 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.079 Da
• Monoisotopic Mass: 228.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 238.000
• 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

Häufig gestellte Fragen

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 at room temperature.

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 94-18-8, the molecular formula is C14H12O3, and the molecular weight is 228.24 g/mol. InChIKey MOZDKDIOPSPTBH-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.