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

Name: 4'-Hydroxyacetophenone - ≥98% , CAS No.99-93-4
SKU: H102969
Availability: InStock

CAS: 99-93-4 Cat. No.: H102969 Formula: C₈H₈O₂ Molecular Weight: 136.15 Beilstein Registry Number: 774355 EC Number: 202-802-8

24 Citations COA

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4'-Hydroxyacetophenone - ≥98% CAS No(99-93-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Citations of This Product Solution Calculators Reviews

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Why this grade

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

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Storage & shipping

Room temperature,Argon charged 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 24 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

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Pubchem Sid

488180448

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180448

Canonical Smiles

CC(=O)C1=CC=C(C=C1)O

IUPAC Name

1-(4-hydroxyphenyl)ethanone

InChIKey

TXFPEBPIARQUIG-UHFFFAOYSA-N

INCHI

1S/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

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

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Acetophenones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic 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
Description	This 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
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 Structure

Associated Targets(Human)

ABAT Tclin Gamma-amino-N-butyrate transaminase (140 Activities)

Discover Target: ABAT

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

ALDH5A1 Tclin Succinate semialdehyde dehydrogenase (19 Activities)

Discover Target: ALDH5A1

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

HSD17B3 Tchem Estradiol 17-beta-dehydrogenase 3 (821 Activities)

Discover Target: HSD17B3

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

N9 (414 Activities)

Lot Number	Certificate Type	Date	Item
A2304349	Certificate of Analysis	Sep 22, 2026	H102969
A2304351	Certificate of Analysis	Sep 22, 2026	H102969
A2304352	Certificate of Analysis	Sep 22, 2026	H102969
A2304353	Certificate of Analysis	Sep 22, 2026	H102969
A2304354	Certificate of Analysis	Sep 22, 2026	H102969
A2304355	Certificate of Analysis	Sep 22, 2026	H102969
A2304356	Certificate of Analysis	Sep 22, 2026	H102969
A2304348	Certificate of Analysis	Sep 22, 2026	H102969
G2622196	Certificate of Analysis	Jul 11, 2026	H102969
G2622195	Certificate of Analysis	Jul 11, 2026	H102969
G2622194	Certificate of Analysis	Jul 11, 2026	H102969
G2622193	Certificate of Analysis	Jul 11, 2026	H102969
G2227888	Certificate of Analysis	May 19, 2026	H102969
C2610543	Certificate of Analysis	Feb 05, 2026	H102969
F2624133	Certificate of Analysis	Feb 05, 2026	H102969
C2610541	Certificate of Analysis	Feb 05, 2026	H102969
C2610542	Certificate of Analysis	Feb 05, 2026	H102969
D2510404	Certificate of Analysis	Mar 28, 2025	H102969
D2510436	Certificate of Analysis	Mar 28, 2025	H102969
D2510437	Certificate of Analysis	Mar 28, 2025	H102969
C2511561	Certificate of Analysis	Jul 10, 2024	H102969
C2511557	Certificate of Analysis	Jul 10, 2024	H102969
K2525511	Certificate of Analysis	Jul 10, 2024	H102969
K2525512	Certificate of Analysis	Jul 10, 2024	H102969
C2512288	Certificate of Analysis	Sep 06, 2022	H102969
A2510170	Certificate of Analysis	Sep 06, 2022	H102969
A2304357	Certificate of Analysis	Sep 06, 2022	H102969
A2304350	Certificate of Analysis	Sep 06, 2022	H102969
G2227837	Certificate of Analysis	Jun 29, 2022	H102969
G2227836	Certificate of Analysis	Jun 29, 2022	H102969
G2227889	Certificate of Analysis	Jun 29, 2022	H102969
G2227890	Certificate of Analysis	Jun 29, 2022	H102969

Solubility	Soluble in 95% Ethanol. Slightly soluble in water.
Sensitivity	Hygroscopic
Flash Point(°F)	330°F
Flash Point(°C)	166℃
Boil Point(°C)	147-148°C
Melt Point(°C)	109-111°C
Molecular Weight	136.150 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	136.052 Da
Monoisotopic Mass	136.052 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	123.000
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

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

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

📚 Citations by Application

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