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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Carbidopa monohydrate, 99%

CAS: 38821-49-7 Molecular Formula: C₁₀H₁₄N₂O₄·H₂O Molecular Weight (g/mol): 244.25 InChI Key: QTAOMKOIBXZKND-PPHPATTJSA-N Synonym: 3-3,4-dihydroxyphenyl-2-hydrazinyl-2-methylpropanoic acid hydrate,+-2-3,4-dihydroxybenzyl-2-hydrazinopropionic acid monohydrate,3-3,4-bis oxidanyl phenyl-2-diazanyl-2-methyl-propanoic acid hydrate PubChem CID: 38101 ChEBI: CHEBI:3395 IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O

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PubChem CID	38101
CAS	38821-49-7
Molecular Weight (g/mol)	244.25
ChEBI	CHEBI:3395
SMILES	CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O
Synonym	3-3,4-dihydroxyphenyl-2-hydrazinyl-2-methylpropanoic acid hydrate,+-2-3,4-dihydroxybenzyl-2-hydrazinopropionic acid monohydrate,3-3,4-bis oxidanyl phenyl-2-diazanyl-2-methyl-propanoic acid hydrate
IUPAC Name	(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate
InChI Key	QTAOMKOIBXZKND-PPHPATTJSA-N
Molecular Formula	C₁₀H₁₄N₂O₄·H₂O

D-(+)-3-Phenyllactic Acid 98.0+%, TCI America™

CAS: 7326-19-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00078062 InChI Key: VOXXWSYKYCBWHO-MRVPVSSYSA-N Synonym: r-2-hydroxy-3-phenylpropionic acid,r-2-hydroxy-3-phenylpropanoic acid,2r-2-hydroxy-3-phenylpropanoic acid,d-+-phenyllactic acid,d-+-3-phenyllactic acid,r-phenyllactate,r-+-3-phenyllactic acid,3-phenyl-d-lactic acid,r-3-phenyllactic acid,r-,a-hydroxy-3-phenylpropionic acid PubChem CID: 643327 ChEBI: CHEBI:32978 IUPAC Name: (2R)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@H](CC1=CC=CC=C1)C(O)=O

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PubChem CID	643327
CAS	7326-19-4
Molecular Weight (g/mol)	166.18
ChEBI	CHEBI:32978
MDL Number	MFCD00078062
SMILES	O[C@H](CC1=CC=CC=C1)C(O)=O
Synonym	r-2-hydroxy-3-phenylpropionic acid,r-2-hydroxy-3-phenylpropanoic acid,2r-2-hydroxy-3-phenylpropanoic acid,d-+-phenyllactic acid,d-+-3-phenyllactic acid,r-phenyllactate,r-+-3-phenyllactic acid,3-phenyl-d-lactic acid,r-3-phenyllactic acid,r-,a-hydroxy-3-phenylpropionic acid
IUPAC Name	(2R)-2-hydroxy-3-phenylpropanoic acid
InChI Key	VOXXWSYKYCBWHO-MRVPVSSYSA-N
Molecular Formula	C9H10O3

2-(4-Isobutylphenyl)propionic Acid 98.0+%, TCI America™

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

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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

Benzylmalonic Acid 98.0+%, TCI America™

CAS: 616-75-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004261 InChI Key: JAEJSNFTJMYIEF-UHFFFAOYSA-N PubChem CID: 12031 IUPAC Name: 2-benzylpropanedioic acid SMILES: OC(=O)C(CC1=CC=CC=C1)C(O)=O

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PubChem CID	12031
CAS	616-75-1
Molecular Weight (g/mol)	194.19
MDL Number	MFCD00004261
SMILES	OC(=O)C(CC1=CC=CC=C1)C(O)=O
IUPAC Name	2-benzylpropanedioic acid
InChI Key	JAEJSNFTJMYIEF-UHFFFAOYSA-N
Molecular Formula	C10H10O4

Bis[rhodium(alpha,alpha,alpha',alpha'-tetramethyl-1,3-benzenedipropionic Acid)] 96.0+%, TCI America™

CAS: 819050-89-0 Molecular Formula: C32H40O8Rh2 Molecular Weight (g/mol): 758.48 MDL Number: MFCD08457636 InChI Key: AHCPGXZDVSBJII-UHFFFAOYSA-J Synonym: Rh2(esp)2 PubChem CID: 131885550 IUPAC Name: bis(λ²-rhodium(2+)) bis(3-[3-(2-carboxylato-2,2-dimethylethyl)phenyl]-2,2-dimethylpropanoate) SMILES: [Rh++].[Rh++].CC(C)(CC1=CC(CC(C)(C)C([O-])=O)=CC=C1)C([O-])=O.CC(C)(CC1=CC(CC(C)(C)C([O-])=O)=CC=C1)C([O-])=O

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PubChem CID	131885550
CAS	819050-89-0
Molecular Weight (g/mol)	758.48
MDL Number	MFCD08457636
SMILES	[Rh++].[Rh++].CC(C)(CC1=CC(CC(C)(C)C([O-])=O)=CC=C1)C([O-])=O.CC(C)(CC1=CC(CC(C)(C)C([O-])=O)=CC=C1)C([O-])=O
Synonym	Rh2(esp)2
IUPAC Name	bis(λ²-rhodium(2+)) bis(3-[3-(2-carboxylato-2,2-dimethylethyl)phenyl]-2,2-dimethylpropanoate)
InChI Key	AHCPGXZDVSBJII-UHFFFAOYSA-J
Molecular Formula	C32H40O8Rh2

meso-2,3-Diphenylsuccinic Acid, TCI America™

CAS: 1225-13-4 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00198082 InChI Key: PVXCQHHWNDJIJP-OKILXGFUSA-N Synonym: meso-2,3-Diphenylbutanedioic Acid PubChem CID: 253131 IUPAC Name: (2S,3R)-2,3-diphenylbutanedioic acid SMILES: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)C(=O)O)C(=O)O

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Specifications

PubChem CID	253131
CAS	1225-13-4
Molecular Weight (g/mol)	270.284
MDL Number	MFCD00198082
SMILES	C1=CC=C(C=C1)C(C(C2=CC=CC=C2)C(=O)O)C(=O)O
Synonym	meso-2,3-Diphenylbutanedioic Acid
IUPAC Name	(2S,3R)-2,3-diphenylbutanedioic acid
InChI Key	PVXCQHHWNDJIJP-OKILXGFUSA-N
Molecular Formula	C16H14O4

L-(-)-3-Phenyllactic Acid 98.0+%, TCI America™

CAS: 20312-36-1 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00004244 InChI Key: VOXXWSYKYCBWHO-QMMMGPOBSA-M Synonym: l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid PubChem CID: 444718 ChEBI: CHEBI:43065 IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoate SMILES: O[C@@H](CC1=CC=CC=C1)C([O-])=O

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PubChem CID	444718
CAS	20312-36-1
Molecular Weight (g/mol)	165.17
ChEBI	CHEBI:43065
MDL Number	MFCD00004244
SMILES	O[C@@H](CC1=CC=CC=C1)C([O-])=O
Synonym	l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid
IUPAC Name	(2S)-2-hydroxy-3-phenylpropanoate
InChI Key	VOXXWSYKYCBWHO-QMMMGPOBSA-M
Molecular Formula	C9H9O3

4-Aminohydrocinnamic Acid 98.0+%, TCI America™

CAS: 2393-17-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00017118 InChI Key: WXOHKMNWMKZMND-UHFFFAOYSA-N Synonym: 3-4-aminophenyl propionic acid,3-4-aminophenyl propanoic acid,4-aminohydrocinnamic acid,benzenepropanoic acid, 4-amino,3-p-aminophenyl propionic acid,beta-p-aminophenyl propionic acid,p-aminohydrocinnamic acid,4-aminobenzenepropanoic acid,benzenepropanoic acid,4-amino,beta-4-aminophenyl propionic acid PubChem CID: 75451 IUPAC Name: 3-(4-aminophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)N

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PubChem CID	75451
CAS	2393-17-1
Molecular Weight (g/mol)	165.192
MDL Number	MFCD00017118
SMILES	C1=CC(=CC=C1CCC(=O)O)N
Synonym	3-4-aminophenyl propionic acid,3-4-aminophenyl propanoic acid,4-aminohydrocinnamic acid,benzenepropanoic acid, 4-amino,3-p-aminophenyl propionic acid,beta-p-aminophenyl propionic acid,p-aminohydrocinnamic acid,4-aminobenzenepropanoic acid,benzenepropanoic acid,4-amino,beta-4-aminophenyl propionic acid
IUPAC Name	3-(4-aminophenyl)propanoic acid
InChI Key	WXOHKMNWMKZMND-UHFFFAOYSA-N
Molecular Formula	C9H11NO2

Sodium 3-(4-Hydroxy-3-methoxyphenyl)lactate 99.0+%, TCI America™

CAS: 77305-02-3 Molecular Formula: C10H11NaO5 Molecular Weight (g/mol): 234.183 MDL Number: MFCD00056719 InChI Key: VYPSMFXPMZZSSK-UHFFFAOYSA-M Synonym: 3-(4-Hydroxy-3-methoxyphenyl)lactic Acid Sodium Salt, Sodium 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionate, 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionic Acid Sodium Salt PubChem CID: 44630328 IUPAC Name: sodium;2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate SMILES: COC1=C(C=CC(=C1)CC(C(=O)[O-])O)O.[Na+]

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PubChem CID	44630328
CAS	77305-02-3
Molecular Weight (g/mol)	234.183
MDL Number	MFCD00056719
SMILES	COC1=C(C=CC(=C1)CC(C(=O)[O-])O)O.[Na+]
Synonym	3-(4-Hydroxy-3-methoxyphenyl)lactic Acid Sodium Salt, Sodium 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionate, 2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionic Acid Sodium Salt
IUPAC Name	sodium;2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoate
InChI Key	VYPSMFXPMZZSSK-UHFFFAOYSA-M
Molecular Formula	C10H11NaO5

3-(4-Hydroxyphenyl)propionic Acid 98.0+%, TCI America™

CAS: 501-97-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002778 InChI Key: NMHMNPHRMNGLLB-UHFFFAOYSA-N Synonym: 3-4-hydroxyphenyl propionic acid,phloretic acid,3-4-hydroxyphenyl propanoic acid,desaminotyrosine,hydro-p-coumaric acid,dihydro-p-coumaric acid,benzenepropanoic acid, 4-hydroxy,4-hydroxyphenylpropionic acid,p-hydroxyhydrocinnamic acid,3-p-hydroxyphenyl propionic acid PubChem CID: 10394 ChEBI: CHEBI:32980 IUPAC Name: 3-(4-hydroxyphenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)O

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PubChem CID	10394
CAS	501-97-3
Molecular Weight (g/mol)	166.176
ChEBI	CHEBI:32980
MDL Number	MFCD00002778
SMILES	C1=CC(=CC=C1CCC(=O)O)O
Synonym	3-4-hydroxyphenyl propionic acid,phloretic acid,3-4-hydroxyphenyl propanoic acid,desaminotyrosine,hydro-p-coumaric acid,dihydro-p-coumaric acid,benzenepropanoic acid, 4-hydroxy,4-hydroxyphenylpropionic acid,p-hydroxyhydrocinnamic acid,3-p-hydroxyphenyl propionic acid
IUPAC Name	3-(4-hydroxyphenyl)propanoic acid
InChI Key	NMHMNPHRMNGLLB-UHFFFAOYSA-N
Molecular Formula	C9H10O3

DL-4-Hydroxyphenyllactic Acid 98.0+%, TCI America™

CAS: 306-23-0 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00010514 InChI Key: JVGVDSSUAVXRDY-UHFFFAOYNA-N Synonym: 2-Hydroxy-3-(4-hydroxyphenyl)propionic Acid PubChem CID: 9378 ChEBI: CHEBI:17385 IUPAC Name: 2-hydroxy-3-(4-hydroxyphenyl)propanoic acid SMILES: OC(CC1=CC=C(O)C=C1)C(O)=O

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Specifications

PubChem CID	9378
CAS	306-23-0
Molecular Weight (g/mol)	182.18
ChEBI	CHEBI:17385
MDL Number	MFCD00010514
SMILES	OC(CC1=CC=C(O)C=C1)C(O)=O
Synonym	2-Hydroxy-3-(4-hydroxyphenyl)propionic Acid
IUPAC Name	2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
InChI Key	JVGVDSSUAVXRDY-UHFFFAOYNA-N
Molecular Formula	C9H10O4

2-[(Acetylthio)methyl]-3-phenylpropionic Acid 98.0+%, TCI America™

CAS: 91702-98-6 Molecular Formula: C12H14O3S Molecular Weight (g/mol): 238.301 MDL Number: MFCD00236751 InChI Key: BCAAXVOKLXDSPD-UHFFFAOYSA-N PubChem CID: 9991796 IUPAC Name: 2-(acetylsulfanylmethyl)-3-phenylpropanoic acid SMILES: CC(=O)SCC(CC1=CC=CC=C1)C(=O)O

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PubChem CID	9991796
CAS	91702-98-6
Molecular Weight (g/mol)	238.301
MDL Number	MFCD00236751
SMILES	CC(=O)SCC(CC1=CC=CC=C1)C(=O)O
IUPAC Name	2-(acetylsulfanylmethyl)-3-phenylpropanoic acid
InChI Key	BCAAXVOKLXDSPD-UHFFFAOYSA-N
Molecular Formula	C12H14O3S

Carbidopa Monohydrate 98.0+%, TCI America™

CAS: 38821-49-7 Molecular Formula: C10H16N2O5 Molecular Weight (g/mol): 244.247 MDL Number: MFCD00889211 InChI Key: QTAOMKOIBXZKND-PPHPATTJSA-N Synonym: 3-3,4-dihydroxyphenyl-2-hydrazinyl-2-methylpropanoic acid hydrate,+-2-3,4-dihydroxybenzyl-2-hydrazinopropionic acid monohydrate,3-3,4-bis oxidanyl phenyl-2-diazanyl-2-methyl-propanoic acid hydrate PubChem CID: 38101 ChEBI: CHEBI:3395 IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O

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Specifications

PubChem CID	38101
CAS	38821-49-7
Molecular Weight (g/mol)	244.247
ChEBI	CHEBI:3395
MDL Number	MFCD00889211
SMILES	CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O
Synonym	3-3,4-dihydroxyphenyl-2-hydrazinyl-2-methylpropanoic acid hydrate,+-2-3,4-dihydroxybenzyl-2-hydrazinopropionic acid monohydrate,3-3,4-bis oxidanyl phenyl-2-diazanyl-2-methyl-propanoic acid hydrate
IUPAC Name	(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate
InChI Key	QTAOMKOIBXZKND-PPHPATTJSA-N
Molecular Formula	C10H16N2O5

Loxoprofen 97.0+%, TCI America™

CAS: 68767-14-6 Molecular Formula: C15H18O3 Molecular Weight (g/mol): 246.31 MDL Number: MFCD00864331 InChI Key: YMBXTVYHTMGZDW-UHFFFAOYNA-N Synonym: 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid PubChem CID: 3965 ChEBI: CHEBI:76172 IUPAC Name: 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid SMILES: CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1

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Specifications

PubChem CID	3965
CAS	68767-14-6
Molecular Weight (g/mol)	246.31
ChEBI	CHEBI:76172
MDL Number	MFCD00864331
SMILES	CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1
Synonym	2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionic Acid
IUPAC Name	2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid
InChI Key	YMBXTVYHTMGZDW-UHFFFAOYNA-N
Molecular Formula	C15H18O3

2-(4-Hydroxyphenyl)propionic Acid 98.0+%, TCI America™

CAS: 938-96-5 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00128847 InChI Key: ZHMMPVANGNPCBW-UHFFFAOYSA-N Synonym: 2-4-hydroxyphenyl propanoic acid,2-4-hydroxyphenyl propionic acid,4-hydroxyhydratropate,4-hydroxyhydratropic acid,4-hydroxyphenyl-2-propionic acid,2-4'-hydroxyphenyl-propionic acid,2-4-hydroxyphenyl propionate,acmc-209ro0,4-hydroxyphenyl propanoic acid,methyl 4-hydroxyphenylacetic acid PubChem CID: 102526 ChEBI: CHEBI:1868 IUPAC Name: 2-(4-hydroxyphenyl)propanoic acid SMILES: CC(C1=CC=C(C=C1)O)C(=O)O

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Specifications

PubChem CID	102526
CAS	938-96-5
Molecular Weight (g/mol)	166.176
ChEBI	CHEBI:1868
MDL Number	MFCD00128847
SMILES	CC(C1=CC=C(C=C1)O)C(=O)O
Synonym	2-4-hydroxyphenyl propanoic acid,2-4-hydroxyphenyl propionic acid,4-hydroxyhydratropate,4-hydroxyhydratropic acid,4-hydroxyphenyl-2-propionic acid,2-4'-hydroxyphenyl-propionic acid,2-4-hydroxyphenyl propionate,acmc-209ro0,4-hydroxyphenyl propanoic acid,methyl 4-hydroxyphenylacetic acid
IUPAC Name	2-(4-hydroxyphenyl)propanoic acid
InChI Key	ZHMMPVANGNPCBW-UHFFFAOYSA-N
Molecular Formula	C9H10O3

Phenylpropanoic acids

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