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4′-Hydroxy-3′-methylacetophenone - 98%, high purity , CAS No.876-02-8

COA

Grade & Purity:

≥98%

Cas Number: 876-02-8
Molecular Weight: 150.17
Beilstein Registry Number: 8112
EC Number: 212-880-5
MDL number: MFCD00002231
PubChem CID: 70135
PubChem SID: 488184485

In stock

Item Number

H101899

Grouped product items
SKU	Size	Availability	Price
H101899-1g	1g	10	$9.90
H101899-5g	5g	3	$20.90
H101899-25g	25g	1	$72.90
H101899-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$259.90

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Basic Description

Synonyms	1-acetyl-4-hydroxy-3-methylbenzene \| FT-0618642 \| NSC63365 \| NSC-63365 \| 1-(4-Hydroxy-3-methylphenyl)ethanone # \| EN300-68490 \| 4'-Hydroxy-3'-methylacetophenone \| 4'-hydroxy-3'-methyl-acetophenone \| 4-Hydroxy-3-methylacetophenone \| RDX-5791 \| AO-800/41069
Specifications & Purity	≥98%
Shipped In	Normal

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 Ortho cresols Benzoyl derivatives Aryl alkyl ketones Toluenes 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - O-cresol - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Toluene - 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	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

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	488184485
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184485
IUPAC Name	1-(4-hydroxy-3-methylphenyl)ethanone
INCHI	InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3
InChIKey	LXBHHIZIQVZGFN-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)C(=O)C)O
Isomeric SMILES	CC1=C(C=CC(=C1)C(=O)C)O
WGK Germany	3
Molecular Weight	150.17
Beilstein	8112
Reaxy-Rn	2041839
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041839&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.

6 results found

Lot Number	Certificate Type	Date	Item
F1215006	Certificate of Analysis	Dec 13, 2024	H101899
D2314136	Certificate of Analysis	Jan 27, 2022	H101899
C1814159	Certificate of Analysis	Jan 27, 2022	H101899
C1814158	Certificate of Analysis	Jan 27, 2022	H101899
D2323897	Certificate of Analysis	Jan 27, 2022	H101899
G2319551	Certificate of Analysis	Jan 27, 2022	H101899

Chemical and Physical Properties

Solubility	Soluble in Methanol
Boil Point(°C)	175°C/1mm
Melt Point(°C)	107-109°C
Molecular Weight	150.170 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	150.068 Da
Monoisotopic Mass	150.068 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154.000
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

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