Butyl 4-hydroxybenzoate - ≥99% , CAS No.94-26-8

Name: Butyl 4-hydroxybenzoate - ≥99% , CAS No.94-26-8
SKU: B108966
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CAS: 94-26-8 Cat. No.: B108966 Summenformel: C₁₁H₁₄O₃ Molekulargewicht: 194.23 Beilstein Registry Number: 1103741 EG-Nummer: 202-318-7

41 Citations COA

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Butyl 4-hydroxybenzoate - ≥99% CAS No(94-26-8) by Aladdin Scientific

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GRADE & PURITY ≥99%

Synonyms

Storage

Room temperature

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Normal

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften FAQs und Artikel Citations of This Product Lösungsrechner Bewertungen

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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 41 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid	488180326
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180326
Kanonisches Lächeln	CCCCOC(=O)C1=CC=C(C=C1)O
IUPAC Name	butyl 4-hydroxybenzoate
InChIKey	QFOHBWFCKVYLES-UHFFFAOYSA-N
INCHI	1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
Isomere SMILES	CCCCOC(=O)C1=CC=C(C=C1)O
WGK Deutschland	2
RTECS	DH1980000
Molekulargewicht	194.23
Beilstein	1103741
Reaxy-Rn	1103741
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103741&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

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	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
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	Not available
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

3D-Struktur

Zugehörige Ziele (menschlich)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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RNASEL Tchem RNase L (193 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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NR1H2 Tchem LXR-beta (3841 Activities)

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MCF7 (126967 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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microRNA 21 (64692 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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Zugehörige Ziele (nicht menschlich)

Mapk1 MAP kinase ERK2 (650 Activities)

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

Hdac6 Histone deacetylase 6 (222 Activities)

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Staphylococcus aureus (210822 Activities)

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Leishmania infantum (5912 Activities)

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Plasmodium falciparum (966862 Activities)

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Trypanosoma cruzi (99888 Activities)

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RBL-2H3 (1162 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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

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

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Wirkungsmechanismen

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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.

20 results found

Lot Number	Certificate Type	Datum	Artikel
I2618137	Certificate of Analysis	Sep 22, 2026	B108966
L2207270	Certificate of Analysis	Sep 01, 2026	B108966
L2207260	Certificate of Analysis	Sep 01, 2026	B108966
L2207250	Certificate of Analysis	Sep 01, 2026	B108966
L2207243	Certificate of Analysis	Sep 01, 2026	B108966
K21251131	Certificate of Analysis	Sep 08, 2025	B108966
K21251130	Certificate of Analysis	Sep 08, 2025	B108966
K21251129	Certificate of Analysis	Sep 08, 2025	B108966
L2420853	Certificate of Analysis	Dec 24, 2024	B108966
L2420850	Certificate of Analysis	Dec 24, 2024	B108966
E2022064	Certificate of Analysis	Mar 12, 2024	B108966
J2523112	Certificate of Analysis	Nov 09, 2022	B108966
L2207236	Certificate of Analysis	Nov 09, 2022	B108966
L2207261	Certificate of Analysis	Nov 09, 2022	B108966
I2227016	Certificate of Analysis	Oct 09, 2022	B108966
J2310169	Certificate of Analysis	Aug 23, 2021	B108966
H2322054	Certificate of Analysis	Aug 23, 2021	B108966
F2421057	Certificate of Analysis	Aug 23, 2021	B108966
A2310472	Certificate of Analysis	Aug 23, 2021	B108966
A2310463	Certificate of Analysis	Aug 23, 2021	B108966

Chemische und physikalische Eigenschaften

Löslichkeit	Soluble in DMSO, ethyl acetate, methanol.
Flammpunkt (°F)	181℃
Flammpunkt (°C)	181℃
Siedepunkt (°C)	156°C
Schmelzpunkt (°C)	68-71°C
Molekulargewicht	194.230 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	194.094 Da
Monoisotopic Mass	194.094 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	171.000
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

FAQs und Artikel

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📚 Citations by Application

Extraction & workup solvent24

Organic synthesis — reaction medium12

Crystallization & recrystallization1

Drug / compound screening3

Cytotoxicity screening2

Controlled-release & nanoparticle carrier2

Chromatography (HPLC / GC / TLC)21

Other applications13

Electrochemistry & battery electrolyte3

Industrial & non-pharma application1

Spectroscopy sample preparation1

View all 41 citations →

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Butyl 4-hydroxybenzoate - ≥99% , CAS No.94-26-8

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Kundenbewertungen

📚 Citations by Application

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