Compounds > hydratropic aldehyde
Page last updated: 2024-12-05

hydratropic aldehyde

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

Hydratropic aldehyde, also known as 2-phenylpropanal, is an organic compound with the formula C6H5CH(CH3)CHO. It is a colorless liquid with a characteristic aromatic odor. Hydratropic aldehyde is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its synthesis typically involves the oxidation of hydratropic alcohol. Research into hydratropic aldehyde focuses on its potential applications in various fields, including its use as a building block for the synthesis of chiral molecules, its role in biological processes, and its potential therapeutic effects.'

2-phenylpropanal : A member of the class of phenylacetaldehydes that is phenylacetaldehyde in which a hydrogen alpha to the aldehyde carbonyl group has been replaced by a methyl group. The major species at pH 7.3. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID7146
CHEMBL ID3730701
CHEBI ID149463
SCHEMBL ID60688
MeSH IDM0060457

Synonyms (109)

Synonym
2-phenylpropanal
2-phenylpropionaldehyde
.alpha.-formylethylbenzene
hyacinthal
nsc5231
.alpha.-phenylpropionaldehyde
hydrotropic aldehyde
benzeneacetaldehyde, .alpha.-methyl-
cumene aldehyde
93-53-8
nsc-5231
propionaldehyde, 2-phenyl-
hydratropic aldehyde
hydratropa aldehyde
.alpha.-methylphenylacetaldehyde
.alpha.-methyl-.alpha.-toluic aldehyde
.alpha.-tolualdehyde, .alpha.-methyl-
wln: vhy1&r
hydratropaldehyde
dl-2-phenylpropionaldehyde
alpha-tolualdehyde, alpha-methyl-
alpha-methyl-alpha-toluic aldehyde
alpha-methylphenylacetaldehyde
nsc 5231
alpha-formylethylbenzene
benzeneacetaldehyde, alpha-methyl-
alpha-methylbenzenealdehydealpha-
alpha-methyl phenylacetaldehyde
einecs 202-255-5
cumene aldehyde (van)
ai3-02934
alpha-methylbenzeneacetaldehyde
benzeneacetalaldehyde, alpha-methyl-
2-phenyl-1-propanal
fema no. 2886
2-fenyl-1-propanal [czech]
alpha-phenyl propionaldehyde
alpha-phenylpropionaldehyde
aldehyd hydratropovy [czech]
2-phenyl propionaldehyde
alpha-phenylpropanal
alpha-methyltolualdehyde
2-phenylpropionaldehyde, >=95%, fcc, fg
2-phenylpropionaldehyde, 98%
P0646
CHEBI:149463
(1-formylethyl)-benzene
AKOS000119425
A844627
aldehyd hydratropovy
unii-8jkx55pkzq
2-fenyl-1-propanal
8jkx55pkzq ,
34713-70-7
2-phenyl-propionaldehyde
FT-0613345
AKOS017278381
SCHEMBL60688
(+/-)-2-phenylpropionaldehyde
(+/-)-2-phenylpropanal
(+/-)-.alpha.-phenylpropionaldehyde
2-phenylpropanaldehyde
(+/-)-hydratropic aldehyde
2-phenylpropionaldehyde [fcc]
.alpha.-methylbenzeneacetaldehyde
2-phenylpropionaldehyde [fhfi]
2-phenylpropan-1-al
phenylpropanal
benzene, (1-formylethyl)-
(.+/-.)-hydratropic aldehyde
dtxsid0052629 ,
NCGC00357113-01
cas-93-53-8
tox21_303843
dtxcid1031202
W-109347
CHEMBL3730701
F2191-0025
mfcd00006973
2-phenylpropionaldehyde, analytical standard
2-phenylpropionaldehyde, purum, >=97.0% (gc)
benzeneacetaldehyde, alpha -methyl-
alpha -methyl-alpha -toluic aldehyde
alpha -phenylpropionaldehyde
alpha -methylphenylacetaldehyde
alpha-methyl-alpha-tolualdehyde
alpha -tolualdehyde, alpha -methyl-
alpha-methyl-benzeneacetalaldehyde
a-methylbenzeneacetaldehyde, 9ci
fema 2886
alpha-methyl-benzeneacetaldehyde
alpha -formylethylbenzene
hydratropaldehyde, 8ci
CS-D1673
a-methylphenylacetaldehyde
SY036235
mfcd24673692
mfcd24673693
SY036236
FT-0700564
methylphenylacetaldehyde
AS-19246
nsc 5231; alpha-formylethylbenzene; alpha-methyl-alpha-toluic aldehyde; alpha-methylphenylacetaldehyde; alpha-phenylpropionaldehyde
EN300-21382
H11244
Q27270639
SY049214
nsc 5231; -formylethylbenzene; -methyl--toluic aldehyde; -methylphenylacetaldehyde; -phenylpropionaldehyde
Z104495674
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
phenylacetaldehydes
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (1)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
thyroid stimulating hormone receptorHomo sapiens (human)Potency33.80680.001628.015177.1139AID1224843; AID1224895
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (1)

Assay IDTitleYearJournalArticle
AID1544945Inhibition of NO711 binding to mouse GAT1 expressed in HEK293 cell membranes assessed as residual binding at 1 uM incubated for 4 hrs in presence of NO711 by LC-ESI-MS/MS analysis relative to control2019Bioorganic & medicinal chemistry, 07-01, Volume: 27, Issue:13
Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of γ-aminobutyric acid transporter 1 (GAT1).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's1 (14.29)18.2507
2000's4 (57.14)29.6817
2010's2 (28.57)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 31.11

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index31.11 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.83 (4.65)
Search Engine Demand Index36.71 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (31.11)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
gamma-aminobutyric acid
gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.		2.2110amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
4-hydroxybenzaldehyde
[no description available]		2.2110hydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
acetaldehyde
Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats.		2.110aldehydecarcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent
benzaldehyde
[no description available]		2.2110benzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
4-nitrobenzaldehyde
4-nitrobenzaldehyde: RN given refers to parent cpd. 4-nitrobenzaldehyde : A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group.		2.2110benzaldehydes;
C-nitro compound
phenylacetaldehyde
[no description available]		2.5420alpha-CH2-containing aldehyde;
phenylacetaldehydes		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
vanillin
Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).		2.2110benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
felbamate
Felbamate: A PEGylated phenylcarbamate derivative that acts as an antagonist of NMDA RECEPTORS. It is used as an anticonvulsant, primarily for the treatment of SEIZURES in severe refractory EPILEPSY.. felbamate : The bis(carbamate ester) of 2-phenylpropane-1,3-diol. An anticonvulsant, it is used in the treatment of epilepsy.		3.150carbamate esteranticonvulsant;
neuroprotective agent
no 711
[no description available]		2.2110diarylmethane
1-naphthaldehyde
1-naphthaldehyde: structure. naphthaldehyde : An aldehyde in which the organyl group is a naphthyl group.. 1-naphthaldehyde : A naphthaldehyde with a formyl group at position 1.		2.2110naphthaldehydemouse metabolite
2-naphthaldehyde
2-naphthaldehyde: structure. 2-naphthaldehyde : A naphthaldehyde that is naphthalene substituted by a formyl group at position 2.		2.2110naphthaldehydemouse metabolite
histidine
Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.		2.0110amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
2-chlorobenzaldehyde
[no description available]		2.2110
salicylaldehyde
o-hydroxybenzaldehyde: structure in first source		2.2110hydroxybenzaldehydenematicide;
plant metabolite
furaldehyde
Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.		2.2110aldehyde;
furans		Maillard reaction product;
metabolite
thiophene-2-carboxaldehyde
thiophene-2-carboxaldehyde: structure in first source. formylthiophene : An aldehyde that is thiophene substituted by a formyl group at position 2.		2.2110aldehyde;
thiophenes		metabolite
3-nitrobenzaldehyde
[no description available]		2.2110
4-(dimethylamino)benzaldehyde
p-dimethylaminobenzaldehyde: structure in first source. 4-(dimethylamino)benzaldehyde : A member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine.		2.2110benzaldehydes;
substituted aniline;
tertiary amino compound		chromogenic compound
4-methylbenzaldehyde
p-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 4-position.		2.2110tolualdehydeplant metabolite
4-chlorobenzaldehyde
[no description available]		2.2110
piperonal
piperonal: has been used as a pediculicide; structure. piperonal : An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum.		2.2110arenecarbaldehyde;
benzodioxoles		fragrance;
insect repellent;
plant metabolite
syringaldehyde
syringaldehyde: isolated from nonfermented fiber fractions of oat hulls and cottonseed hulls. syringaldehyde : A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity.		2.2110dimethoxybenzene;
hydroxybenzaldehyde		hypoglycemic agent;
plant metabolite
2-Methoxybenzaldehyde
[no description available]		2.2110carbonyl compound
3-pyridinaldehyde
pyridine-3-carbaldehyde : A pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3.		2.2110pyridinecarbaldehyde
2-methylbenzaldehyde
2-methylbenzaldehyde: structure in first source. o-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 2-position.		2.2110tolualdehydeplant metabolite
2-nitrobenzaldehyde
2-nitrobenzaldehyde: structure given in first source. 2-nitrobenzaldehyde : Benzaldehyde substituted at the ortho-position with a nitro group.		2.2110benzaldehydes;
C-nitro compound
3-methoxybenzaldehyde
3-methoxybenzaldehyde : A member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group.		2.2110benzaldehydes;
monomethoxybenzene		Brassica napus metabolite
3-methylbenzaldehyde
3-methylbenzaldehyde: structure in first source. m-tolualdehyde : A tolualdehyde compound with the methyl substituent at the 3-position.		2.2110tolualdehydeplant metabolite
diphenylacetaldehyde
diphenylacetaldehyde: structure in first source		2.2110
pyrrole-2-carboxaldehyde
2-pyrrolecarboxaldehyde: structure in first source. pyrrole-2-carboxaldehyde : A pyrrole carrying a formyl substituent at the 2-position.		2.21101,3-thiazole-2-carbaldehyde;
pyrroles
pyridine-2-carboxaldehyde
pyridine-2-carboxaldehyde: structure in first source. 2-formylpyridine : A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group.		2.2110pyridinecarbaldehyde
fluorine
Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries.		2.0210diatomic fluorine;
gas molecular entity		NMR chemical shift reference compound
4-anisaldehyde
4-anisaldehyde: RN given refers to cpd with specified locants for methoxy moieties; structure in Merck, 9th ed, #696. p-methoxybenzaldehyde : A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.		2.2110benzaldehydesbacterial metabolite;
human urinary metabolite;
insect repellent;
plant metabolite
3-phenoxybenzaldehyde
[no description available]		2.2110
tiagabine
Tiagabine: A nipecotic acid derivative that acts as a GABA uptake inhibitor and anticonvulsant agent. It is used in the treatment of EPILEPSY, for refractory PARTIAL SEIZURES.. tiagabine : A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy.		2.2110beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
4-cyanobenzaldehyde
[no description available]		2.2110benzaldehydes
4-(trifluoromethyl)benzaldehyde
[no description available]		2.2110benzaldehydes
4-fluorobenzaldehyde
[no description available]		2.2110
9-anthraldehyde
[no description available]		2.2110
quinoline-4-carbaldehyde
[no description available]		2.2110
2-quinolinecarboxaldehyde
2-quinolinecarboxaldehyde: structure in first source		2.2110
2-bromobenzaldehyde
2-bromobenzaldehyde: structure in first source		2.2110
4-methoxy-1-naphthalaldehyde
4-methoxy-1-naphthalaldehyde: used for fluorometric assays for isozymes of human alcohol dehydrogenase; structure given in first source		2.2110
lilial
[no description available]		2.2110
2-benzyloxybenzaldehyde
[no description available]		2.2110
cinnamaldehyde
3-phenylprop-2-enal : A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.. (E)-cinnamaldehyde : The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.		2.21103-phenylprop-2-enal;
cinnamaldehydes		antifungal agent;
EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor;
flavouring agent;
hypoglycemic agent;
plant metabolite;
sensitiser;
vasodilator agent
beta-proline
beta-proline: RN given refers to cpd without isomeric designation; structure given in first source		2.2110
nad
NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.		2.0210organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
ConditionIndicatedRelationship StrengthStudiesTrials
Acute Liver Injury, Drug-Induced
[description not available]		02.0210
Anemia, Hypoplastic
[description not available]		02.0210
Liver Dysfunction
[description not available]		02.0210
Anemia, Aplastic
A form of anemia in which the bone marrow fails to produce adequate numbers of peripheral blood elements.		02.0210
Liver Diseases
Pathological processes of the LIVER.		02.0210
Chemical and Drug Induced Liver Injury
A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.		02.0210