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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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2

3-(4-Methoxyphenyl)propionic acid, 98%

CAS: 1929-29-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002777 InChI Key: FIUFLISGGHNPSM-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy PubChem CID: 95750 IUPAC Name: 3-(4-methoxyphenyl)propanoic acid SMILES: COC1=CC=C(C=C1)CCC(=O)O

PubChem CID 95750
CAS 1929-29-9
Molecular Weight (g/mol) 180.203
MDL Number MFCD00002777
SMILES COC1=CC=C(C=C1)CCC(=O)O
Synonym 3-4-methoxyphenyl propanoic acid,3-4-methoxyphenyl propionic acid,benzenepropanoic acid, 4-methoxy,p-methoxyhydrocinnamic acid,3-p-methoxyphenyl propionic acid,3-4-methoxy-phenyl-propionic acid,4-methoxyhydrocinnamic acid,3-4-methoxyphenyl-propionic acid,4-methoxyhydro cinnamic acid,hydrocinnamic acid, p-methoxy
IUPAC Name 3-(4-methoxyphenyl)propanoic acid
InChI Key FIUFLISGGHNPSM-UHFFFAOYSA-N
Molecular Formula C10H12O3
3

(+/-)-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
4

3-(2-Chlorophenyl)propionic acid, 98+%

CAS: 1643-28-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00016547 InChI Key: KZMDFTFGWIVSNQ-UHFFFAOYSA-N Synonym: 3-2-chlorophenyl propionic acid,3-2-chlorophenyl propanoic acid,benzenepropanoic acid, 2-chloro,2-chlorobenzenepropanoic acid,2-chloro-benzenepropanoic acid,zlchem 694,pubchem19768,acmc-209dqy,2-chlorohydrocinnamic acid,ksc494i2t PubChem CID: 95676 IUPAC Name: 3-(2-chlorophenyl)propanoic acid SMILES: C1=CC=C(C(=C1)CCC(=O)O)Cl

PubChem CID 95676
CAS 1643-28-3
Molecular Weight (g/mol) 184.619
MDL Number MFCD00016547
SMILES C1=CC=C(C(=C1)CCC(=O)O)Cl
Synonym 3-2-chlorophenyl propionic acid,3-2-chlorophenyl propanoic acid,benzenepropanoic acid, 2-chloro,2-chlorobenzenepropanoic acid,2-chloro-benzenepropanoic acid,zlchem 694,pubchem19768,acmc-209dqy,2-chlorohydrocinnamic acid,ksc494i2t
IUPAC Name 3-(2-chlorophenyl)propanoic acid
InChI Key KZMDFTFGWIVSNQ-UHFFFAOYSA-N
Molecular Formula C9H9ClO2
5

3-Phenylpropionic acid, 99%

CAS: 501-52-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

PubChem CID 107
CAS 501-52-0
Molecular Weight (g/mol) 150.177
ChEBI CHEBI:28631
MDL Number MFCD00002771
SMILES C1=CC=C(C=C1)CCC(=O)O
Synonym hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid
IUPAC Name 3-phenylpropanoic acid
InChI Key XMIIGOLPHOKFCH-UHFFFAOYSA-N
Molecular Formula C9H10O2
6

Thermo Scientific Chemicals DL-2-Benzylserine, 97%

CAS: 4740-47-0 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.22 MDL Number: MFCD01863305 InChI Key: ZMNNAJIBOJDHAF-JTQLQIEISA-N Synonym: dl-2-benzylserine,2-amino-3-hydroxy-2-benzylpropanoic acid,alpha-benzyl-dl-serine PubChem CID: 7010088 IUPAC Name: (2S)-2-amino-2-benzyl-3-hydroxypropanoic acid SMILES: C1=CC=C(C=C1)CC(CO)(C(=O)O)N

PubChem CID 7010088
CAS 4740-47-0
Molecular Weight (g/mol) 195.22
MDL Number MFCD01863305
SMILES C1=CC=C(C=C1)CC(CO)(C(=O)O)N
Synonym dl-2-benzylserine,2-amino-3-hydroxy-2-benzylpropanoic acid,alpha-benzyl-dl-serine
IUPAC Name (2S)-2-amino-2-benzyl-3-hydroxypropanoic acid
InChI Key ZMNNAJIBOJDHAF-JTQLQIEISA-N
Molecular Formula C10H13NO3
7

3-(4-Hydroxy-3,5-dimethoxyphenyl)propanoic Acid, TRC

CAS: 14897-78-0 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.23 IUPAC Name: 3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid SMILES: COc1cc(CCC(=O)O)cc(OC)c1O

CAS 14897-78-0
Molecular Weight (g/mol) 226.23
SMILES COc1cc(CCC(=O)O)cc(OC)c1O
IUPAC Name 3-(4-hydroxy-3,5-dimethoxyphenyl)propanoic acid
Molecular Formula C11H14O5
8

Hydrocinnamic acid, 99%

CAS: 501-52-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002771 InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N Synonym: hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid PubChem CID: 107 ChEBI: CHEBI:28631 IUPAC Name: 3-phenylpropanoic acid SMILES: C1=CC=C(C=C1)CCC(=O)O

PubChem CID 107
CAS 501-52-0
Molecular Weight (g/mol) 150.18
ChEBI CHEBI:28631
MDL Number MFCD00002771
SMILES C1=CC=C(C=C1)CCC(=O)O
Synonym hydrocinnamic acid,3-phenylpropionic acid,benzylacetic acid,benzenepropanoic acid,dihydrocinnamic acid,benzenepropionic acid,phenylpropanoic acid,3-phenyl-propionic acid,phenylpropanoate,beta-phenylpropionic acid
IUPAC Name 3-phenylpropanoic acid
InChI Key XMIIGOLPHOKFCH-UHFFFAOYSA-N
Molecular Formula C9H10O2
9

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
10

Indoprofen, TRC

CAS: 31842-01-0 Molecular Formula: C17 H15 N O3 Molecular Weight (g/mol): 281.31 Synonym: Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-methyl-,(±)-Indoprofen,1-Oxo-2-[p-[(α-methyl)carboxymethyl]phenyl]isoindoline,2-[4-(1-Oxo-2-isoindolinyl)phenyl]propanoic acid,Bor-ind,Flosin,Flosint,IPP,Indoprofen,Isindone,K 4277,Praxis,Racemic Indoprofen,Reumofene,dl-α-[4-(1-Oxo-2-isoindolinyl)phenyl]propionic acid,p-(1-Oxo-2-isoindolinyl)hydratropic acid IUPAC Name: 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid SMILES: CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O

CAS 31842-01-0
Molecular Weight (g/mol) 281.31
SMILES CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O
Synonym Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-methyl-,(±)-Indoprofen,1-Oxo-2-[p-[(α-methyl)carboxymethyl]phenyl]isoindoline,2-[4-(1-Oxo-2-isoindolinyl)phenyl]propanoic acid,Bor-ind,Flosin,Flosint,IPP,Indoprofen,Isindone,K 4277,Praxis,Racemic Indoprofen,Reumofene,dl-α-[4-(1-Oxo-2-isoindolinyl)phenyl]propionic acid,p-(1-Oxo-2-isoindolinyl)hydratropic acid
IUPAC Name 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid
Molecular Formula C17 H15 N O3
11

DL-p-Hydroxyphenyllactic Acid, TRC

CAS: 306-23-0 Molecular Formula: C9 H10 O4 Molecular Weight (g/mol): 182.17 Synonym: 3-(p-Hydroxyphenyl)lactic Acid,(RS)-3-(4-Hydroxyphenyl)lactic Acid,(±)-3-(4-Hydroxyphenyl)lactic Acid,2-Hydroxy-3-(4-hydroxyphenyl)propanoic Acid,2-Hydroxy-3-(p-hydroxyphenyl)propionic Acid,3-(4-Hydroxyphenyl)-DL-lactic Acid,3-(4-Hydroxyphenyl)lactic Acid,DL-3-(4-Hydroxyphenyl)lactic Acid,HPLA,NSC 111175,p-Hydroxy-dl-phenyllactic Acid,α,4-Dihydroxybenzenepropanoic Acid,β-(4-Hydroxyphenyl)lactic Acid,β-(p-Hydroxyphenyl)-DL-lactic Acid,β-(p-Hydroxyphenyl)lactic Acid,Lactic acid, 3-(p-hydroxyphenyl)- (6CI,8CI) IUPAC Name: 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid SMILES: OC(Cc1ccc(O)cc1)C(=O)O

CAS 306-23-0
Molecular Weight (g/mol) 182.17
SMILES OC(Cc1ccc(O)cc1)C(=O)O
Synonym 3-(p-Hydroxyphenyl)lactic Acid,(RS)-3-(4-Hydroxyphenyl)lactic Acid,(±)-3-(4-Hydroxyphenyl)lactic Acid,2-Hydroxy-3-(4-hydroxyphenyl)propanoic Acid,2-Hydroxy-3-(p-hydroxyphenyl)propionic Acid,3-(4-Hydroxyphenyl)-DL-lactic Acid,3-(4-Hydroxyphenyl)lactic Acid,DL-3-(4-Hydroxyphenyl)lactic Acid,HPLA,NSC 111175,p-Hydroxy-dl-phenyllactic Acid,α,4-Dihydroxybenzenepropanoic Acid,β-(4-Hydroxyphenyl)lactic Acid,β-(p-Hydroxyphenyl)-DL-lactic Acid,β-(p-Hydroxyphenyl)lactic Acid,Lactic acid, 3-(p-hydroxyphenyl)- (6CI,8CI)
IUPAC Name 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
Molecular Formula C9 H10 O4
12

Ibuprofen Lysinate, TRC

CAS: 57469-77-9 Molecular Formula: C13 H18 O2 . C6 H14 N2 O2 Molecular Weight (g/mol): 352.468 Synonym: L-Lysine, α-methyl-4-(2-methylpropyl)benzeneacetate (1:1) (ACI),L-Lysine, mono[α-methyl-4-(2-methylpropyl)benzeneacetate] (9CI),Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, compd. with L-lysine (1:1) (9CI),Arfen,Dolormin,Ibuprofen lysinate,Ibuprofen lysine,Ibuprofen lysine salt,Imbun,Imbun 500,Lisiprofen,Lysine 2-(p-isobutylphenyl)propionate,NeoProfen,Saren,Solufenum,Soluphene IUPAC Name: (2S)-2,6-diaminohexanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)Cc1ccc(cc1)C(C)C(=O)O.NCCCC[C@H](N)C(=O)O

CAS 57469-77-9
Molecular Weight (g/mol) 352.468
SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)O.NCCCC[C@H](N)C(=O)O
Synonym L-Lysine, α-methyl-4-(2-methylpropyl)benzeneacetate (1:1) (ACI),L-Lysine, mono[α-methyl-4-(2-methylpropyl)benzeneacetate] (9CI),Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, compd. with L-lysine (1:1) (9CI),Arfen,Dolormin,Ibuprofen lysinate,Ibuprofen lysine,Ibuprofen lysine salt,Imbun,Imbun 500,Lisiprofen,Lysine 2-(p-isobutylphenyl)propionate,NeoProfen,Saren,Solufenum,Soluphene
IUPAC Name (2S)-2,6-diaminohexanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid
Molecular Formula C13 H18 O2 . C6 H14 N2 O2
13

3-(2,3,4-Trimethoxyphenyl)propionic acid, 97%, Thermo Scientific™

CAS: 33130-04-0 Molecular Formula: C12H16O5 Molecular Weight (g/mol): 240.26 MDL Number: MFCD00002773 InChI Key: QOPNYPCVRBRZOP-UHFFFAOYSA-N PubChem CID: 118401 IUPAC Name: 3-(2,3,4-trimethoxyphenyl)propanoic acid SMILES: COC1=CC=C(CCC(O)=O)C(OC)=C1OC

PubChem CID 118401
CAS 33130-04-0
Molecular Weight (g/mol) 240.26
MDL Number MFCD00002773
SMILES COC1=CC=C(CCC(O)=O)C(OC)=C1OC
IUPAC Name 3-(2,3,4-trimethoxyphenyl)propanoic acid
InChI Key QOPNYPCVRBRZOP-UHFFFAOYSA-N
Molecular Formula C12H16O5
14

3-(Boc-amino)-3-(3-fluorophenyl)propionic acid, 99%, Thermo Scientific™

CAS: 284493-59-0 Molecular Formula: C14H18FNO4 Molecular Weight (g/mol): 283.299 MDL Number: MFCD02090701 InChI Key: IQPQPXUDXQDVMK-UHFFFAOYSA-N Synonym: 3-tert-butoxycarbonyl amino-3-3-fluorophenyl propanoic acid,3-boc-amino-3-3-fluorophenyl propionic acid,3-n-boc-amino-3-3-fluorophenyl propionic acid,3-3-fluorophenyl-3-2-methylpropan-2-yl oxycarbonylamino propanoic acid,boc-3-amino-3-3-fluorophenyl propionic acid,3-tert-butoxy carbonylamino-3-3-fluorophenyl propanoic acid,acmc-20anb3,boc-r-3-amino-3-3-fluoro-phenyl-propionic acid,r,s-3-amino-3-3-fluorophenyl propanoic acid PubChem CID: 2783065 IUPAC Name: 3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)F

PubChem CID 2783065
CAS 284493-59-0
Molecular Weight (g/mol) 283.299
MDL Number MFCD02090701
SMILES CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=CC=C1)F
Synonym 3-tert-butoxycarbonyl amino-3-3-fluorophenyl propanoic acid,3-boc-amino-3-3-fluorophenyl propionic acid,3-n-boc-amino-3-3-fluorophenyl propionic acid,3-3-fluorophenyl-3-2-methylpropan-2-yl oxycarbonylamino propanoic acid,boc-3-amino-3-3-fluorophenyl propionic acid,3-tert-butoxy carbonylamino-3-3-fluorophenyl propanoic acid,acmc-20anb3,boc-r-3-amino-3-3-fluoro-phenyl-propionic acid,r,s-3-amino-3-3-fluorophenyl propanoic acid
IUPAC Name 3-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key IQPQPXUDXQDVMK-UHFFFAOYSA-N
Molecular Formula C14H18FNO4
15

3-(2-Fluoro-4-methylphenyl)propionic acid, 97%, Thermo Scientific™

CAS: 852181-17-0 Molecular Formula: C10H11FO2 Molecular Weight (g/mol): 182.19 MDL Number: MFCD09025394 InChI Key: HQOAGAGIHCHXLP-UHFFFAOYSA-N Synonym: 3-2-fluoro-4-methylphenyl propionic acid,3-2-fluoro-4-methylphenyl propanoic acid PubChem CID: 46737562 IUPAC Name: 3-(2-fluoro-4-methylphenyl)propanoic acid SMILES: CC1=CC(F)=C(CCC(O)=O)C=C1

PubChem CID 46737562
CAS 852181-17-0
Molecular Weight (g/mol) 182.19
MDL Number MFCD09025394
SMILES CC1=CC(F)=C(CCC(O)=O)C=C1
Synonym 3-2-fluoro-4-methylphenyl propionic acid,3-2-fluoro-4-methylphenyl propanoic acid
IUPAC Name 3-(2-fluoro-4-methylphenyl)propanoic acid
InChI Key HQOAGAGIHCHXLP-UHFFFAOYSA-N
Molecular Formula C10H11FO2