4-hidroxibenzoato de isobutilo - ≥99% , CAS No.4247-02-3

CAS: 4247-02-3 Cat. No.: I111810 Peso molecular: 194.23 Número EC: 224-208-8
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
CHEBI:178256 | p-Hydroxybenzoic acid sec-butyl ester | 2-Methylpropyl 4-hydroxybenzoate | ChemDiv2_000057 | FT-0618696 | ISOBUTYL PARA HYDROXY BENZOATE | SR-01000389342-1 | 3-10-00-00308 (Beilstein Handbook Reference) | MFCD00020167 | p-Hydroxybenzoic aci
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
I111810-5g
3
9,90US$
25g
I111810-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
10,90US$
50g
I111810-50g
2

14,90US$

22,90US$
Guardar 8,00 US$ (34.93%)
100g
I111810-100g
2

25,90US$

38,90US$
Guardar 13,00 US$ (33.42%)
500g
I111810-500g
1

68,90US$

103,90US$
Guardar 35,00 US$ (33.69%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
CHEBI:178256 | p-Hydroxybenzoic acid sec-butyl ester | 2-Methylpropyl 4-hydroxybenzoate | ChemDiv2_000057 | FT-0618696 | ISOBUTYL PARA HYDROXY BENZOATE | SR-01000389342-1 | 3-10-00-00308 (Beilstein Handbook Reference) | MFCD00020167 | p-Hydroxybenzoic aci
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Tipo de acción
INHIBITOR
Pureza
≥99%
Nombres e identificadores
Pubchem Sid488182600
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182600
Sonrisas canónicasCC(C)COC(=O)C1=CC=C(C=C1)O
IUPAC Name2-methylpropyl 4-hydroxybenzoate
InChIKeyXPJVKCRENWUEJH-UHFFFAOYSA-N
INCHI1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
Isómeros SMILES CC(C)COC(=O)C1=CC=C(C=C1)O
WGK Alemania 3
RTECS DH2247000
Peso molecular 194.23
Reaxy-Rn 2642305
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2642305&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Benzoic acid esters - p-Hydroxybenzoic acid esters
Direct Parentp-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 FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

8 results found

Lot NumberCertificate TypeFechaArticulo
H2209479Certificate of AnalysisMay 20, 2026 I111810
B2217066Certificate of AnalysisDec 10, 2025 I111810
A2507119Certificate of AnalysisJan 10, 2025 I111810
G1930169Certificate of AnalysisMay 06, 2023 I111810
H1521057Certificate of AnalysisApr 13, 2023 I111810
A1914075Certificate of AnalysisNov 11, 2022 I111810
D2320055Certificate of AnalysisNov 11, 2022 I111810
I2102080Certificate of AnalysisSep 10, 2021 I111810
Propiedades químicas y físicas
SolubilidadSolubility in water: Practically insoluble; Very soluble in Ethanol,Acetone,Ether; Soluble in Methanol
Punto de fusión (°C)76°C
Peso molecular194.230 g/mol
XLogP33.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass194.094 Da
Monoisotopic Mass194.094 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count14
Formal Charge0
Complexity181.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Yang Jinling, Li Yongxin, Gong Weilei, Wang Changqin, Liu Bencheng, Sun Chengjun.  (2014)  Simultaneous Determination of Six Parabens in Foods by Matrix Liquid-Phase Dispersion Extraction Combined with High-Performance Liquid Chromatography.  Food Analytical Methods,  (8): (1693-1702).  [PMID:] [10.1007/s12161-014-9807-9]
2. Zheng Hu, Yuhang Yang, Zhe Li, Qiuying Tao, Yinghong Huang, Xian Wang.  (2025)  Efficient enrichment and sensitive determination of endocrine disruptors in PPCPs by novel magnetic covalent organic framework extraction coupled with HPLC-MS/MS.  TALANTA,      [PMID:39892117] [10.1016/j.talanta.2025.127667]
3. Yueyue Shi, Dazhen Xiong, Yangyang Zhao, Tiemei Li, Kaige Zhang, Jing Fan.  (2019)  Highly efficient extraction/separation of Cr (VI) by a new family of hydrophobic deep eutectic solvents.  CHEMOSPHERE,      [PMID:31629246] [10.1016/j.chemosphere.2019.125082]
4. Na Wei, Zhenjia Zheng, Yuhua Wang, Yanduo Tao, Yun Shao, Shuyun Zhu, Jinmao You, Xian-En Zhao.  (2017)  Rapid and sensitive determination of multiple endocrine-disrupting chemicals by ultrasound-assisted in situ derivatization dispersive liquid–liquid microextraction coupled with ultra-high-performance liquid chromatography/tandem mass spectrometry.  RAPID COMMUNICATIONS IN MASS SPECTROMETRY,  31  (11): (937-950).  [PMID:28370680] [10.1002/rcm.7865]
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