4'-Hydroxyacetophenone - ≥98% , CAS No.99-93-4

CAS: 99-93-4 Cat. No.: H102969 Molecular Weight: 136.15 Beilstein Registry Number: 774355 EC Number: 202-802-8
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
2o48 | 4''-hydroxyacetophenone | 4'-Hydroxyacetophenone | 4-Hydroxyacetophenone | NCGC00257782-01 | 1-(4-Hydroxyphenyl)Ethan-1-One | p-Hydroxacetophenone | 1-(4-Hydroxyphenyl)ethanone (4-Hydroxyacetophenone) | HYDROXYACETOPHENONE [INCI] | 4-HAP | 4'-hydro
Storage
Room temperature,Argon charged,Cool
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
H102969-5g
7
$9.90
25g
H102969-25g
4
$10.90
100g
H102969-100g
4
$11.90
250g
H102969-250g
3

$21.90

$32.90
Save $11.00 (33.43%)
500g
H102969-500g
1

$27.90

$41.90
Save $14.00 (33.41%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged,Cool 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 23 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Usually used as ketone component in the preparation of 1-aryl-3-phenethylamino-1-propanone hydrochlorides.


product description:

Molecular dynamics simulation study of the two known polymorphs of 4′-hydroxyacetophenone (form I, monoclinic; form II, orthorhombic) has been described.


application:

4′-Hydroxyacetophenone has been used as ketone component in the preparation of 1-aryl-3-phenethylamino-1-propanone hydrochlorides, potential cytotoxic agents, via Mannich reactions.

Specifications

Synonyms
2o48 | 4''-hydroxyacetophenone | 4'-Hydroxyacetophenone | 4-Hydroxyacetophenone | NCGC00257782-01 | 1-(4-Hydroxyphenyl)Ethan-1-One | p-Hydroxacetophenone | 1-(4-Hydroxyphenyl)ethanone (4-Hydroxyacetophenone) | HYDROXYACETOPHENONE [INCI] | 4-HAP | 4'-hydro
Specifications & Purity
≥98%
Storage
Room temperature, Argon charged, Cool
Shipped In
Normal
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Pubchem Sid488180448
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180448
Canonical SmilesCC(=O)C1=CC=C(C=C1)O
IUPAC Name1-(4-hydroxyphenyl)ethanone
InChIKeyTXFPEBPIARQUIG-UHFFFAOYSA-N
INCHI1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
Isomeric SMILES CC(=O)C1=CC=C(C=C1)O
WGK Germany 3
RTECS AM8750000
Molecular Weight 136.15
Beilstein 774355
Reaxy-Rn 774355
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774355&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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Acetophenones  Benzoyl derivatives  Aryl alkyl ketones  1-hydroxy-2-unsubstituted benzenoids  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors an aromatic compound - a methyl-ethyl-ketone
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ABAT Tclin Gamma-amino-N-butyrate transaminase (140 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH5A1 Tclin Succinate semialdehyde dehydrogenase (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B3 Tchem Estradiol 17-beta-dehydrogenase 3 (821 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
N9 (414 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mycobacterium tuberculosis (203094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Spinacia oleracea (250 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hepatitis B virus (7925 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Botrytis cinerea (4183 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L1210 (27553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
E Lysozyme (95 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lactuca sativa (1092 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alternaria alternata (757 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Medicago sativa (511 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Phaseolus vulgaris (518 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pythium aphanidermatum (174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhizoctonia solani (2251 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sclerotinia sclerotiorum (877 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Solanum lycopersicum (493 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trifolium pratense (73 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Physalis ixocarpa (96 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

27 results found

Lot NumberCertificate TypeDateItem
G2227888Certificate of AnalysisMay 19, 2026 H102969
C2610543Certificate of AnalysisFeb 05, 2026 H102969
C2610542Certificate of AnalysisFeb 05, 2026 H102969
C2610541Certificate of AnalysisFeb 05, 2026 H102969
D2510437Certificate of AnalysisMar 28, 2025 H102969
D2510436Certificate of AnalysisMar 28, 2025 H102969
D2510404Certificate of AnalysisMar 28, 2025 H102969
C2511557Certificate of AnalysisJul 10, 2024 H102969
C2511561Certificate of AnalysisJul 10, 2024 H102969
K2525512Certificate of AnalysisJul 10, 2024 H102969
K2525511Certificate of AnalysisJul 10, 2024 H102969
C2512288Certificate of AnalysisSep 06, 2022 H102969
A2304348Certificate of AnalysisSep 06, 2022 H102969
A2510170Certificate of AnalysisSep 06, 2022 H102969
A2304357Certificate of AnalysisSep 06, 2022 H102969
A2304356Certificate of AnalysisSep 06, 2022 H102969
A2304355Certificate of AnalysisSep 06, 2022 H102969
A2304354Certificate of AnalysisSep 06, 2022 H102969
A2304353Certificate of AnalysisSep 06, 2022 H102969
A2304352Certificate of AnalysisSep 06, 2022 H102969
A2304351Certificate of AnalysisSep 06, 2022 H102969
A2304350Certificate of AnalysisSep 06, 2022 H102969
A2304349Certificate of AnalysisSep 06, 2022 H102969
G2227836Certificate of AnalysisJun 29, 2022 H102969
G2227837Certificate of AnalysisJun 29, 2022 H102969
G2227889Certificate of AnalysisJun 29, 2022 H102969
G2227890Certificate of AnalysisJun 29, 2022 H102969

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Chemical and Physical Properties
SolubilitySoluble in 95% Ethanol. Slightly soluble in water.
SensitivityHygroscopic
Flash Point(°F)330°F
Flash Point(°C)166℃
Boil Point(°C)147-148°C
Melt Point(°C)109-111°C
Molecular Weight136.150 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass136.052 Da
Monoisotopic Mass136.052 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count10
Formal Charge0
Complexity123.000
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
Documents & Articles
Citations of This Product
References
1. Daihong Gao, Denghao Ouyang, Xuebing Zhao.  (2023)  Controllable oxidative depolymerization of lignin to produce aromatic aldehydes and generate electricity under mild conditions with direct biomass fuel cells as flexible reactors.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.147874]
2. Tong Shao, Xiaolei Song, Yufeng Jiang, Chenchen Wang, Peng Li, Shihao Sun, Dingzhong Wang, Wei Wei.  (2023)  Vanillin-Catalyzed highly sensitive luminol chemiluminescence and its application in food detection.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:36857865] [10.1016/j.saa.2023.122535]
3. Mingxue Li, Pijun Duan, Yanru Huo, Jinchan Jiang, Yuxin Zhou, Yuhui Ma, Zhehui Jin, Qiong Mei, Ju Xie, Maoxia He.  (2022)  The multiple roles of phenols in the degradation of aniline contaminants by sulfate radicals: A combined study of DFT calculations and experiments.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:36334575] [10.1016/j.jhazmat.2022.130216]
4. Zhimin Gong, Gaobo Wang, Shuai Shao, Mengjie Wang, Kun Lu, Shixiang Gao.  (2021)  Co-degradation of coexisting pollutants methylparaben (mediators) and amlodipine in enzyme-mediator systems: Insight into the mediating mechanism.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:34523479] [10.1016/j.jhazmat.2021.127112]
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7. Li-Xian Zhu, Qin-Bao Lin, Jia-Yi Li, Hong-Mei Zhu, Hong-Sheng Ma, Huai-Ning Zhong, Jing-Jing Pan.  (2019)  Sources of potassium permanganate consumption for food contact paper.  Food Packaging and Shelf Life,      [PMID:] [10.1016/j.fpsl.2019.100319]
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11. ChenDi Ding, Ying Liu, MingDong Wang, Ting Wang, JiaJun Fu.  (2016)  Self-healing, superhydrophobic coating based on mechanized silica nanoparticles for reliable protection of magnesium alloys.  Journal of Materials Chemistry A,  (21): (8041-8052).  [PMID:] [10.1039/C6TA02575G]
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14. Zhixuan Zhou, Jiaru Zhuo, Sujun Yan, Lin Ma.  (2013)  Design and synthesis of 3,5-diaryl-4,5-dihydro-1H-pyrazoles as new tyrosinase inhibitors.  BIOORGANIC & MEDICINAL CHEMISTRY,      [PMID:23391365] [10.1016/j.bmc.2012.12.054]
15. Liting Xu, Fengyun Shi, Jinghua Zhao, Limin Wu, Hongkun Li, Yi Li, Wei Liu, Yonggang Yang.  (2024)  Circularly Polarized Luminescence of Cholesteric Liquid Crystal Polymer Networks with a Europium(III) Complex as an Emitter.  ACS Applied Materials & Interfaces,      [PMID:38485216] [10.1021/acsami.3c18353]
16. Zhao Song, Yu Zhang, Peiru He, Xuesong Liu, Nanqi Ren, Yidi Chen.  (2024)  Feasibility of phenolic contaminant removal from high-saline wastewater by chloride-mediated activation of peroxymonosulfate (PMS) and peracetic acid (PAA).  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126856]
17. Peng Zhang, Minglu Sun, Chenying Zhou, Chuan-Shu He, Yang Liu, Heng Zhang, Zhaokun Xiong, Wen Liu, Peng Zhou, Bo Lai.  (2024)  Origins of Selective Oxidation in Carbon-Based Nonradical Oxidation Processes toward Organic Pollutants: Quantitative Structure–Activity Relationships (QSARs).  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:38410972] [10.1021/acs.est.3c06252]
18. Fuxing Zhai, Lixin Xu, Huijian Ye.  (2025)  Chain Topology Engineering in Amphiphilic Block Copolymers: Crosslinking-Induced Nanodomain Refinement for Ultrahigh Energy Density under Extreme Conditions.  Advanced Science,      [PMID:40953367] [10.1002/advs.202510046]
19. Jun Wu, Liqian Liu, Xinyue Yan, Gang Pan, Jiahao Bai, Chengbing Wang, Fuwei Li, Yong Li.  (2025)  Microenvironment engineering of nitrogen-doped hollow carbon spheres encapsulated with Pd catalysts for highly selective hydrodeoxygenation of biomass-derived vanillin in water.  CHINESE JOURNAL OF CATALYSIS,      [PMID:] [10.1016/S1872-2067(24)60261-5]
20. Yifan Zhang, Jiaying Liu, Shiwei Wang, Zhihao Yu, Haojian Zhang, Dong Wang, Lin Zhu, Chunzheng Wu, Hongbo Yu.  (2025)  Enhanced Selective Hydrogenation of Acetophenone over KIT-6 Supported Pd-MO x (M = Fe, Co, Ni) Hybrid Nanostructures.  Catalysis Science & Technology,      [PMID:] [10.1039/D5CY01108F]
21. Pengfei Lian, Zengji Yao, Guangwei Sun, Yao Li, Zihao Ma, Xing Wang, Ying Han.  (2025)  Continuous Synthesis of Quinolines Derivatives from Catalytic Oxidative depolymerization Products of Lignin in a Micro-manufacturing Platform.  JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS,      [PMID:] [10.1016/j.jaap.2025.107579]
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