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4-Hydroxyphenylacetone

Properties, data and information sources.

 

Contents

4-Hydroxyphenylacetone is an organic chemical compound. It is an indirect and inactive metabolite of amphetamine and its derivatives, formed in the body from phenylacetone through para-hydroxylation.

 

Names and Identifiers

Name
4-Hydroxyphenylacetone
Formula
C9H10O2
Molar mass
150.177 (g/mol)
CAS registry number
770-39-8
EC number EINECS
616-432-3
InChI Key
VWMVAQHMFFZQGD-UHFFFAOYSA-N

Systematic name
1-(4-Hydroxyphenyl)propan-2-one

Other names, synonyms
p-Hydroxyphenylacetone; 1-(4-Hydroxyphenyl)acetone; 4-Acetonylphenol; 4-Hydroxybenzyl methyl ketone; 1-(p-Hydroxyphenyl)-2-propanone; para-Hydroxyphenylacetone

 

Chemical formulas

Molecular formula and structural formula of 4-Hydroxyphenylacetone:

 

C9H10O2

Mr = 150.177 g/mol

1-(4-Hydroxyphenyl)propan-2-one
SMILES: CC(=O)CC1=CC=C(C=C1)O

 

Spectroscopic data:

SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
48Edww0yyNr

Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound 4-Hydroxyphenylacetone - C9H10O2 - calculated based on molecular mass.

Symbol
Element E
Number x
of atoms Ex
Data of the element
and isotopes *
Percentages
of isotopes
Percentage of
Ex in formula mass
C
Carbon
9 Ar = 12.011 u
ΣAr = 108.099 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %]
 
12C: 71.21806 %
14C: trace
13C: 0.763 %
71.9811 %H
Hydrogen
10 Ar = 1.008 u
ΣAr = 10.08 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
 
3H: trace
1H: 6.71141 %
2H: 0.00067 %
6.7121 %O
Oxygen
2 Ar = 15.999 u
ΣAr = 31.998 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
 
16O: 21.25508 %
17O: 0.00817 %
18O: 0.04368 %
21.3069 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 150.177 grams per mole.

The amount of substance in one kilogram of the substance is n = 6.659 mol.

The amount of substance in one gram of the substance is n = 0.007 mol.

Monoisotopic mass: 150.06807956 Da - related to 12C91H1016O2.

 

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Warning

GHS hazard statements (H phrases):


H315
Causes skin irritation

H319
Causes serious eye irritation

H335
May cause respiratory irritation

Labeling in the EU: See ECHA Substance Infocard 100.129.975.

 

External Sources

PubChem:ID 7019274ChemSpider:ID 5382241UNII of the FDA (USA):Unique Ingredient Identifier 7K79N2OO7FEPA CompTox Chemicals Dashboard:DTXSID40427095

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of 4-Hydroxyphenylacetone as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: 4-Hydroxyphenylacetone.

 


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Last update: 2026-02-11


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