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

2 Citations

COA

Grade & Purity:

≥98%

Cas Number: 94-18-8
Molecular Weight: 228.24
Beilstein Registry Number: 2115995
EC Number: 202-311-9
MDL number: MFCD00016471
PubChem CID: 7180
PubChem SID: 488180325

In stock

Item Number

B102189

Grouped product items
SKU	Size	Availability	Price
B102189-5g	5g	3	$38.90
B102189-10g	10g	1	$61.90
B102189-25g	25g	4	$142.90
B102189-100g	100g	1	$539.90
B102189-250g	250g	1	$1,131.90
B102189-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,149.90

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Basic Description

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
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class 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
Class	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
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
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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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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)

Discover Target: USP1

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Dermatophagoides pteronyssinus (58 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488180325
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180325
IUPAC Name	benzyl 4-hydroxybenzoate
INCHI	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
InChIKey	MOZDKDIOPSPTBH-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O
Isomeric SMILES	C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O
WGK Germany	3
RTECS	DH2691000
UN Number	3077
Molecular Weight	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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

13 results found

Lot Number	Certificate Type	Date	Item
E2324048	Certificate of Analysis	Feb 11, 2023	B102189
B23021124	Certificate of Analysis	Feb 11, 2023	B102189
B23021148	Certificate of Analysis	Feb 11, 2023	B102189
B23021189	Certificate of Analysis	Feb 11, 2023	B102189
B23021184	Certificate of Analysis	Feb 11, 2023	B102189
B23021149	Certificate of Analysis	Feb 11, 2023	B102189
B23021197	Certificate of Analysis	Feb 11, 2023	B102189
C2531040	Certificate of Analysis	Feb 11, 2023	B102189
B2302519	Certificate of Analysis	Feb 07, 2023	B102189
B2302522	Certificate of Analysis	Feb 07, 2023	B102189
B2302520	Certificate of Analysis	Feb 07, 2023	B102189
B2302523	Certificate of Analysis	Feb 07, 2023	B102189
B2302524	Certificate of Analysis	Feb 07, 2023	B102189

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Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	109-112°C
Molecular Weight	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 Å²
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Li Shuo, Jia Mengtian, Guo Hongqiao, Hou Xiaohong. (2018) Development and application of metal organic framework/chitosan foams based on ultrasound-assisted solid-phase extraction coupling to UPLC-MS/MS for the determination of five parabens in water. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 410 (25): (6619-6632).
2. Hang Ning, Wen-long Liu, Qing-yun Li, You-yan Liu, Shi-ting Huang, Hai-bo Liu, Ai-xing Tang. (2024) Substrate Characterization for Hydrolysis of Multiple Types of Aromatic Esters by Promiscuous Aminopeptidases. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 72 (30): (16867-16876).

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

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Show more⌵

Chemical and Physical Properties

Citations of This Product

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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