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Phenylpropanoic acids

Organic compounds consisting of a carboxylic acid with the formula: C9H10O2; also known as hydrocinnamic acid. They are widely used in cosmetics, as food additives, and in the pharmaceutical industry.
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Molecular Weight (g/mol)

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Keyword Search:
1 – 15 of 126 results
1

4-Isobutyl-alpha-methylphenylacetic acid, 99%

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

EDGE
PubChem CID 3672
CAS 15687-27-1
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:5855
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
2

alpha-Methylhydrocinnamic acid, 98%

CAS: 1009-67-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00192301 InChI Key: MCIIDRLDHRQKPH-UHFFFAOYNA-N Synonym: 2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,# PubChem CID: 99862 IUPAC Name: 2-methyl-3-phenylpropanoic acid SMILES: CC(CC1=CC=CC=C1)C(O)=O

PubChem CID 99862
CAS 1009-67-2
Molecular Weight (g/mol) 164.20
MDL Number MFCD00192301
SMILES CC(CC1=CC=CC=C1)C(O)=O
Synonym 2-benzylpropionic acid,alpha-methylhydrocinnamic acid,2-methyl-3-phenylpropionic acid,2-benzylpropanoic acid,2-methyl-3-phenyl-propionic acid,acmc-20ao3h,alpha-methylhydrocinnamicacid,alpha-methyl-hydrocinnamic acid,2-methyl-3-phenyl-propanoic acid,#
IUPAC Name 2-methyl-3-phenylpropanoic acid
InChI Key MCIIDRLDHRQKPH-UHFFFAOYNA-N
Molecular Formula C10H12O2
3

4-Chloro-alpha-methylphenylacetic acid, 97%

CAS: 938-95-4 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00044670 InChI Key: YOZILQVNIWNPFP-UHFFFAOYSA-N Synonym: 2-4-chlorophenyl propanoic acid,4-chloro-alpha-methylphenylacetic acid,dl-2-4-chlorophenyl propan-oic acid,dl-p-chloro-.alpha.-methylphenylacetic acid,benzeneacetic acid, 4-chloro-.alpha.-methyl,dl-2-4-chlorophenyl propanoic acid,2-4-chloro-phenyl-propionic acid,dl-4-chloro-alpha-methylphenylacetic acid,?-p-chlorohydratropic acid,4-chloro methylphenylacetic acid PubChem CID: 102525 IUPAC Name: 2-(4-chlorophenyl)propanoic acid SMILES: CC(C1=CC=C(C=C1)Cl)C(=O)O

PubChem CID 102525
CAS 938-95-4
Molecular Weight (g/mol) 184.619
MDL Number MFCD00044670
SMILES CC(C1=CC=C(C=C1)Cl)C(=O)O
Synonym 2-4-chlorophenyl propanoic acid,4-chloro-alpha-methylphenylacetic acid,dl-2-4-chlorophenyl propan-oic acid,dl-p-chloro-.alpha.-methylphenylacetic acid,benzeneacetic acid, 4-chloro-.alpha.-methyl,dl-2-4-chlorophenyl propanoic acid,2-4-chloro-phenyl-propionic acid,dl-4-chloro-alpha-methylphenylacetic acid,?-p-chlorohydratropic acid,4-chloro methylphenylacetic acid
IUPAC Name 2-(4-chlorophenyl)propanoic acid
InChI Key YOZILQVNIWNPFP-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
4

3-(3,4-Dihydroxyphenyl)propionic acid, 98+%

CAS: 1078-61-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002776 InChI Key: DZAUWHJDUNRCTF-UHFFFAOYSA-N Synonym: dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid PubChem CID: 348154 ChEBI: CHEBI:48400 IUPAC Name: 3-(3,4-dihydroxyphenyl)propanoic acid SMILES: C1=CC(=C(C=C1CCC(=O)O)O)O

EDGE
PubChem CID 348154
CAS 1078-61-1
Molecular Weight (g/mol) 182.175
ChEBI CHEBI:48400
MDL Number MFCD00002776
SMILES C1=CC(=C(C=C1CCC(=O)O)O)O
Synonym dihydrocaffeic acid,3-3,4-dihydroxyphenyl propionic acid,hydrocaffeic acid,3,4-dihydroxyhydrocinnamic acid,3-3,4-dihydroxyphenyl propanoic acid,benzenepropanoic acid, 3,4-dihydroxy,hydrocaffeic acid polymer,hykop,3,4-dihydroxyhydrocinnamate,3,4-dihydroxybenzenepropionic acid
IUPAC Name 3-(3,4-dihydroxyphenyl)propanoic acid
InChI Key DZAUWHJDUNRCTF-UHFFFAOYSA-N
Molecular Formula C9H10O4
5

Alpha-(4-Isobutylphenyl)ethanol, TRC

CAS: 40150-92-3 Molecular Formula: C12 H18 O Molecular Weight (g/mol): 178.27 Synonym: 1-(4-Isobutylphenyl)ethanol IUPAC Name: 1-[4-(2-methylpropyl)phenyl]ethanol SMILES: CC(C)Cc1ccc(cc1)C(C)O

CAS 40150-92-3
Molecular Weight (g/mol) 178.27
SMILES CC(C)Cc1ccc(cc1)C(C)O
Synonym 1-(4-Isobutylphenyl)ethanol
IUPAC Name 1-[4-(2-methylpropyl)phenyl]ethanol
Molecular Formula C12 H18 O
6

D-Alpha-Methyl DOPA, TRC

CAS: 2799-15-7 Molecular Formula: C10H13NO4 Molecular Weight (g/mol): 211.21 Synonym: D-Tyrosine, 3-hydroxy-α-methyl-,Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, D- (8CI),3-Hydroxy-α-methyl-D-tyrosine,(+)-α-Methyldopa,D-(3,4-Dihydroxyphenyl)-2-methylalanine,D-Methyldopa,D-α-Methyl-3-(3,4-dihydroxyphenyl)alanine,D-α-Methyldopa IUPAC Name: (2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid SMILES: C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O

CAS 2799-15-7
Molecular Weight (g/mol) 211.21
SMILES C[C@@](N)(Cc1ccc(O)c(O)c1)C(=O)O
Synonym D-Tyrosine, 3-hydroxy-α-methyl-,Alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, D- (8CI),3-Hydroxy-α-methyl-D-tyrosine,(+)-α-Methyldopa,D-(3,4-Dihydroxyphenyl)-2-methylalanine,D-Methyldopa,D-α-Methyl-3-(3,4-dihydroxyphenyl)alanine,D-α-Methyldopa
IUPAC Name (2R)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid
Molecular Formula C10H13NO4
7

O,alpha-Dimethyl-DL-tyrosine, TRC

CAS: 7383-30-4 Molecular Formula: C11 H15 N O3 Molecular Weight (g/mol): 209.24 Synonym: Tyrosine, O,α-dimethyl-,Alanine, 3-(p-methoxyphenyl)-2-methyl-, DL- (8CI),DL-Tyrosine, O,α-dimethyl-,O,α-Dimethyltyrosine,2-Amino-3-(4-methoxyphenyl)-2-methylpropanoic acid IUPAC Name: 2-amino-3-(4-methoxyphenyl)-2-methylpropanoic acid SMILES: COc1ccc(CC(C)(N)C(=O)O)cc1

CAS 7383-30-4
Molecular Weight (g/mol) 209.24
SMILES COc1ccc(CC(C)(N)C(=O)O)cc1
Synonym Tyrosine, O,α-dimethyl-,Alanine, 3-(p-methoxyphenyl)-2-methyl-, DL- (8CI),DL-Tyrosine, O,α-dimethyl-,O,α-Dimethyltyrosine,2-Amino-3-(4-methoxyphenyl)-2-methylpropanoic acid
IUPAC Name 2-amino-3-(4-methoxyphenyl)-2-methylpropanoic acid
Molecular Formula C11 H15 N O3
8

Alpha-Methyl-D,L-tyrosine, TRC

CAS: 658-48-0 Molecular Formula: C10 H13 N O3 Molecular Weight (g/mol): 195.22 Synonym: Tyrosine, α-methyl-,α-Methyltyrosine,(±)-α-Methyl-p-tyrosine,2-(4-Hydroxybenzyl)-2-aminopropanoic acid,DL-2-Methyl-p-tyrosine,DL-α-Methyl-p-tyrosine,DL-α-Methyltyrosine,Racemetirosine,dl-Metyrosine,α-MPT,α-Methyl-DL-tyrosine,α-Methyl-p-tyrosine IUPAC Name: 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid SMILES: CC(N)(Cc1ccc(O)cc1)C(=O)O

CAS 658-48-0
Molecular Weight (g/mol) 195.22
SMILES CC(N)(Cc1ccc(O)cc1)C(=O)O
Synonym Tyrosine, α-methyl-,α-Methyltyrosine,(±)-α-Methyl-p-tyrosine,2-(4-Hydroxybenzyl)-2-aminopropanoic acid,DL-2-Methyl-p-tyrosine,DL-α-Methyl-p-tyrosine,DL-α-Methyltyrosine,Racemetirosine,dl-Metyrosine,α-MPT,α-Methyl-DL-tyrosine,α-Methyl-p-tyrosine
IUPAC Name 2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
Molecular Formula C10 H13 N O3
9

L-alpha-Aminoxy-beta-phenylpropionic Acid Hydrobromide, TRC

CAS: 73086-97-2 Molecular Formula: C9 H11 N O3 . Br H Molecular Weight (g/mol): 262.1 Synonym: Benzenepropanoic acid, α-(aminooxy)-, hydrobromide, (S)- (9CI),(2S)-2-(Aminooxy)-3-phenylpropanoic acid hydrobromide,(2S)-2-Aminooxy-3-phenylpropanoic acid hydrobromide,L-α-Aminoxy-β-phenylpropionic acid hydrobromide,(αS)-α-(Aminooxy)benzenepropanoic acid hydrobromide IUPAC Name: (2S)-2-aminooxy-3-phenylpropanoic acid;hydrobromide SMILES: Br.NO[C@@H](Cc1ccccc1)C(=O)O

CAS 73086-97-2
Molecular Weight (g/mol) 262.1
SMILES Br.NO[C@@H](Cc1ccccc1)C(=O)O
Synonym Benzenepropanoic acid, α-(aminooxy)-, hydrobromide, (S)- (9CI),(2S)-2-(Aminooxy)-3-phenylpropanoic acid hydrobromide,(2S)-2-Aminooxy-3-phenylpropanoic acid hydrobromide,L-α-Aminoxy-β-phenylpropionic acid hydrobromide,(αS)-α-(Aminooxy)benzenepropanoic acid hydrobromide
IUPAC Name (2S)-2-aminooxy-3-phenylpropanoic acid;hydrobromide
Molecular Formula C9 H11 N O3 . Br H
10

3-Carboxy-alpha-methylbenzeneacetic Acid(Ketoprofen Impurity), TRC

CAS: 68432-95-1 Molecular Formula: C10 H10 O4 Molecular Weight (g/mol): 194.18 Synonym: 3-[(1RS)-1-Carboxyethyl]benzoic acid,Ketoprofen Imp. C (EP),Benzeneacetic acid, 3-carboxy-α-methyl-,3-Carboxy-α-methylbenzeneacetic acid,3-(1-Carboxyethyl)benzoic acid,DF 2008Y IUPAC Name: 3-(1-carboxyethyl)benzoic acid SMILES: CC(C(=O)O)c1cccc(c1)C(=O)O

CAS 68432-95-1
Molecular Weight (g/mol) 194.18
SMILES CC(C(=O)O)c1cccc(c1)C(=O)O
Synonym 3-[(1RS)-1-Carboxyethyl]benzoic acid,Ketoprofen Imp. C (EP),Benzeneacetic acid, 3-carboxy-α-methyl-,3-Carboxy-α-methylbenzeneacetic acid,3-(1-Carboxyethyl)benzoic acid,DF 2008Y
IUPAC Name 3-(1-carboxyethyl)benzoic acid
Molecular Formula C10 H10 O4
11

3,5-Di-tert-butyl-4-hydroxyphenylpropionic acid, 98%

CAS: 20170-32-5 MDL Number: MFCD00017519 Synonym: 3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid PubChem CID: 88389 IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid

PubChem CID 88389
CAS 20170-32-5
MDL Number MFCD00017519
Synonym 3-3,5-di-tert-butyl-4-hydroxyphenyl propionic acid,3-3,5-di-tert-butyl-4-hydroxyphenyl propanoic acid,fenozan,3,5-di-tert-butyl-4-hydroxyphenylpropionic acid,benzenepropanoic acid, 3,5-bis 1,1-dimethylethyl-4-hydroxy,unii-x6g09g700f,3,5-di-tert-butyl-4-hydroxyhydocinnamic acid,3,5-bis 1,1-dimethylethyl-4-hydroxybenzenepropanoic acid,3-3,5-ditertbutyl-4-hydroxyphenyl propionic acid,3-3,5-bis tert-butyl-4-hydroxyphenyl propanoic acid
IUPAC Name 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
12

(+/-)-2-Phenylpropionic acid, 98%

CAS: 492-37-5 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002650 InChI Key: YPGCWEMNNLXISK-UHFFFAOYSA-N Synonym: 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid PubChem CID: 10296 ChEBI: CHEBI:48526 IUPAC Name: 2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

PubChem CID 10296
CAS 492-37-5
Molecular Weight (g/mol) 150.177
ChEBI CHEBI:48526
MDL Number MFCD00002650
SMILES CC(C1=CC=CC=C1)C(=O)O
Synonym 2-phenylpropionic acid,hydratropic acid,dl-2-phenylpropionic acid,alpha-methylphenylacetic acid,2-phenyl-propionic acid,+/--2-phenylpropionic acid,alpha-methylbenzeneacetic acid,benzeneacetic acid, .alpha.-methyl,hydratropasaeure,alpha-phenylpropionic acid
IUPAC Name 2-phenylpropanoic acid
InChI Key YPGCWEMNNLXISK-UHFFFAOYSA-N
Molecular Formula C9H10O2
13

(+/-)-Phenylsuccinic acid, 98%

CAS: 635-51-8 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00004256 InChI Key: LVFFZQQWIZURIO-UHFFFAOYSA-N Synonym: phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl PubChem CID: 95459 IUPAC Name: 2-phenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(=O)O

PubChem CID 95459
CAS 635-51-8
Molecular Weight (g/mol) 194.186
MDL Number MFCD00004256
SMILES C1=CC=C(C=C1)C(CC(=O)O)C(=O)O
Synonym phenylsuccinic acid,dl-phenylsuccinic acid,2-phenylsuccinic acid,phenyl succinic acid,butanedioic acid, phenyl,succinic acid, phenyl,2-phenylsuccinate,.alpha.-phenylsuccinic acid,phenylsuccinate,butanedioic acid, 2-phenyl
IUPAC Name 2-phenylbutanedioic acid
InChI Key LVFFZQQWIZURIO-UHFFFAOYSA-N
Molecular Formula C10H10O4
14

(S)-(+)-2-Phenylpropionic acid, 97%

CAS: 7782-24-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00063139 InChI Key: YPGCWEMNNLXISK-ZETCQYMHSA-N Synonym: s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc PubChem CID: 2724622 ChEBI: CHEBI:48527 IUPAC Name: (2S)-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)C(=O)O

PubChem CID 2724622
CAS 7782-24-3
Molecular Weight (g/mol) 150.177
ChEBI CHEBI:48527
MDL Number MFCD00063139
SMILES CC(C1=CC=CC=C1)C(=O)O
Synonym s-+-2-phenylpropionic acid,s-2-phenylpropanoic acid,2s-2-phenylpropanoic acid,s-hydratropic acid,+-hydratropic acid,s-2-phenyl-propionic acid,s-alpha-methylbenzeneacetic acid,s-2-phenylpropionic acid,s-+-hydratropic acid,unii-988109nfbc
IUPAC Name (2S)-2-phenylpropanoic acid
InChI Key YPGCWEMNNLXISK-ZETCQYMHSA-N
Molecular Formula C9H10O2
15

3-(2,5-Dimethoxyphenyl)propionic acid, 96%

CAS: 10538-49-5 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00060325 InChI Key: JENQUCZZZGYHRW-UHFFFAOYSA-N PubChem CID: 66343 IUPAC Name: 3-(2,5-dimethoxyphenyl)propanoic acid SMILES: COC1=CC=C(OC)C(CCC(O)=O)=C1

PubChem CID 66343
CAS 10538-49-5
Molecular Weight (g/mol) 210.23
MDL Number MFCD00060325
SMILES COC1=CC=C(OC)C(CCC(O)=O)=C1
IUPAC Name 3-(2,5-dimethoxyphenyl)propanoic acid
InChI Key JENQUCZZZGYHRW-UHFFFAOYSA-N
Molecular Formula C11H14O4