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3,4-Dihydroxyphenylacetaldehyde

Properties, data and information sources.

 

Contents

3,4-Dihydroxyphenylacetaldehyde is an organic chemical compound from the phenylacetaldehyde group, also known by the abbreviation DOPAL. It is a metabolite of the monoamine neurotransmitter dopamine, produced by monoamine oxidase (MAO).

 

Names and Identifiers

Name
3,4-Dihydroxyphenylacetaldehyde
Formula
C8H8O3
Molar mass
152.149 (g/mol)
CAS registry number
5707-55-1
EC number EINECS
809-292-1
InChI Key
IADQVXRMSNIUEL-UHFFFAOYSA-N

Systematic name
2-(3,4-Dihydroxyphenyl)acetaldehyde

Other names, synonyms
Protocatechuatealdehyde; (3,4-Dihydroxyphenyl)acetaldehyde; 3,4-Dihydroxy-benzeneacetaldehyde; DHPAA aldehyde; Dopamine aldehyde; DOPAL; Dopaldehyde; 3,4-Dihydroxy-α-tolualdehyde

 

Chemical formulas

Molecular formula and structural formula of 3,4-Dihydroxyphenylacetaldehyde:

 

C8H8O3

Mr = 152.149 g/mol

2-(3,4-Dihydroxyphenyl)acetaldehyde
SMILES: C1=CC(=C(C=C1CC=O)O)O

 

Spectroscopic data:

Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)
HMDB0003791

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 3,4-Dihydroxyphenylacetaldehyde - C8H8O3 - 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
8 Ar = 12.011 u
ΣAr = 96.088 u
12C: 12 u [98,94 %]
14C: 14.00324 u [<< 1 %]
13C: 13.00335 u [1,06 %]
 
12C: 62.48445 %
14C: trace
13C: 0.66943 %
63.1539 %H
Hydrogen
8 Ar = 1.008 u
ΣAr = 8.064 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
 
3H: trace
1H: 5.29954 %
2H: 0.00053 %
5.3001 %O
Oxygen
3 Ar = 15.999 u
ΣAr = 47.997 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
 
16O: 31.46939 %
17O: 0.0121 %
18O: 0.06467 %
31.5461 %

*) 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 = 152.149 grams per mole.

The amount of substance in one kilogram of the substance is n = 6.573 mol.

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

Monoisotopic mass: 152.0473441146 Da - related to 12C81H816O3.

 

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):


H302
Harmful if swallowed

 

External Sources

PubChem:ID 119219ChemSpider:ID 106504Kegg database DBGET:ID C04043UNII of the FDA (USA):Unique Ingredient Identifier F2E9Q24TSLEPA CompTox Chemicals Dashboard:DTXSID10205680

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of 3,4-Dihydroxyphenylacetaldehyde 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: 3,4-Dihydroxyphenylacetaldehyde.

 


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Last update: 2026-02-04


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