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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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

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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

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

3-Phenylpropionic Acid 98.0+%, TCI America™

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

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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

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

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

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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

alpha,alpha,alpha',alpha'-Tetramethyl-1,3-benzenedipropionic Acid 98.0+%, TCI America™

CAS: 819050-88-9 Molecular Formula: C16H22O4 Molecular Weight (g/mol): 278.35 MDL Number: MFCD08276874 InChI Key: BZWQVGTVYGEXTE-UHFFFAOYSA-N Synonym: 3,3′-(1,3-Phenylene)bis(2,2-dimethylpropanoic Acid) PubChem CID: 11204982 IUPAC Name: 3-[3-(2-carboxy-2,2-dimethylethyl)phenyl]-2,2-dimethylpropanoic acid SMILES: CC(C)(CC1=CC(CC(C)(C)C(O)=O)=CC=C1)C(O)=O

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PubChem CID	11204982
CAS	819050-88-9
Molecular Weight (g/mol)	278.35
MDL Number	MFCD08276874
SMILES	CC(C)(CC1=CC(CC(C)(C)C(O)=O)=CC=C1)C(O)=O
Synonym	3,3′-(1,3-Phenylene)bis(2,2-dimethylpropanoic Acid)
IUPAC Name	3-[3-(2-carboxy-2,2-dimethylethyl)phenyl]-2,2-dimethylpropanoic acid
InChI Key	BZWQVGTVYGEXTE-UHFFFAOYSA-N
Molecular Formula	C16H22O4

DL-2-Phenylpropionic Acid 98.0+%, TCI America™

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

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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

Phenylsuccinic Acid 98.0+%, TCI America™

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

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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

2,3-Dibromo-3-phenylpropionic Acid 98.0+%, TCI America™

CAS: 6286-30-2 Molecular Formula: C9H8Br2O2 Molecular Weight (g/mol): 307.97 MDL Number: MFCD00004208 InChI Key: FXJWTHBNVZNQQP-UHFFFAOYNA-N Synonym: alpha,beta-Dibromohydrocinnamic Acid PubChem CID: 22705 IUPAC Name: 2,3-dibromo-3-phenylpropanoic acid SMILES: OC(=O)C(Br)C(Br)C1=CC=CC=C1

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PubChem CID	22705
CAS	6286-30-2
Molecular Weight (g/mol)	307.97
MDL Number	MFCD00004208
SMILES	OC(=O)C(Br)C(Br)C1=CC=CC=C1
Synonym	alpha,beta-Dibromohydrocinnamic Acid
IUPAC Name	2,3-dibromo-3-phenylpropanoic acid
InChI Key	FXJWTHBNVZNQQP-UHFFFAOYNA-N
Molecular Formula	C9H8Br2O2

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-Benzylacrylic Acid 98.0+%, TCI America™

CAS: 5669-19-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00854174 InChI Key: RYNDYESLUKWOEE-UHFFFAOYSA-N Synonym: 2-Methylene-3-phenylpropionic Acid PubChem CID: 303571 IUPAC Name: 2-benzylprop-2-enoic acid SMILES: OC(=O)C(=C)CC1=CC=CC=C1

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PubChem CID	303571
CAS	5669-19-2
Molecular Weight (g/mol)	162.19
MDL Number	MFCD00854174
SMILES	OC(=O)C(=C)CC1=CC=CC=C1
Synonym	2-Methylene-3-phenylpropionic Acid
IUPAC Name	2-benzylprop-2-enoic acid
InChI Key	RYNDYESLUKWOEE-UHFFFAOYSA-N
Molecular Formula	C10H10O2

3-[4-(Trifluoromethyl)phenyl]propionic Acid 98.0+%, TCI America™

CAS: 53473-36-2 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.175 MDL Number: MFCD00674032 InChI Key: OEIUMLSCWINLBB-UHFFFAOYSA-N Synonym: 4-trifluoromethyl hydrocinnamic acid,3-4-trifluoromethyl phenyl propanoic acid,3-4-trifluoromethyl phenyl propionic acid,benzenepropanoic acid, 4-trifluoromethyl,3-4-trifluoromethylphenyl propionic acid,4-trifluoromethyl phenylpropionic acid,p-trifluoromethyl benzylacetic acid,3-4-trifluoromethyl-phenyl-propionic acid PubChem CID: 3588736 IUPAC Name: 3-[4-(trifluoromethyl)phenyl]propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)C(F)(F)F

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PubChem CID	3588736
CAS	53473-36-2
Molecular Weight (g/mol)	218.175
MDL Number	MFCD00674032
SMILES	C1=CC(=CC=C1CCC(=O)O)C(F)(F)F
Synonym	4-trifluoromethyl hydrocinnamic acid,3-4-trifluoromethyl phenyl propanoic acid,3-4-trifluoromethyl phenyl propionic acid,benzenepropanoic acid, 4-trifluoromethyl,3-4-trifluoromethylphenyl propionic acid,4-trifluoromethyl phenylpropionic acid,p-trifluoromethyl benzylacetic acid,3-4-trifluoromethyl-phenyl-propionic acid
IUPAC Name	3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI Key	OEIUMLSCWINLBB-UHFFFAOYSA-N
Molecular Formula	C10H9F3O2

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

CAS: 585-50-2 Molecular Formula: C10H9F3O2 Molecular Weight (g/mol): 218.18 MDL Number: MFCD00090487 InChI Key: YLTJJMIWCCJIHI-UHFFFAOYSA-N Synonym: 3-3-trifluoromethyl phenyl propanoic acid,3-3-trifluoromethylphenyl propionic acid,benzenepropanoic acid, 3-trifluoromethyl,3-trifluoromethyl hydrocinnamic acid,unii-4u44xhh79h,3-3'-trifluoromethylphenyl-propionic acid,3-3-trifluoromethyl phenyl propionic acid,cinacalcet m5,m-trifluoromethyl hydrocinnamic acid PubChem CID: 2777683 IUPAC Name: 3-[3-(trifluoromethyl)phenyl]propanoic acid SMILES: OC(=O)CCC1=CC(=CC=C1)C(F)(F)F

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PubChem CID	2777683
CAS	585-50-2
Molecular Weight (g/mol)	218.18
MDL Number	MFCD00090487
SMILES	OC(=O)CCC1=CC(=CC=C1)C(F)(F)F
Synonym	3-3-trifluoromethyl phenyl propanoic acid,3-3-trifluoromethylphenyl propionic acid,benzenepropanoic acid, 3-trifluoromethyl,3-trifluoromethyl hydrocinnamic acid,unii-4u44xhh79h,3-3'-trifluoromethylphenyl-propionic acid,3-3-trifluoromethyl phenyl propionic acid,cinacalcet m5,m-trifluoromethyl hydrocinnamic acid
IUPAC Name	3-[3-(trifluoromethyl)phenyl]propanoic acid
InChI Key	YLTJJMIWCCJIHI-UHFFFAOYSA-N
Molecular Formula	C10H9F3O2

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

CAS: 2107-70-2 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00002774 InChI Key: LHHKQWQTBCTDQM-UHFFFAOYSA-N Synonym: 3-3,4-dimethoxyphenyl propionic acid,3-3,4-dimethoxyphenyl propanoic acid,3,4-dimethoxyhydrocinnamic acid,benzenepropanoic acid, 3,4-dimethoxy,3-3,4-dimethoxyphenyl-propionic acid,3-3,4-dimethoxy-phenyl-propionic acid,unii-6xo32zsp1d,6xo32zsp1d,3-3',4'-dimethoxyphenyl propanoic acid,3-3,4-dimethoxyphenyl propionicacid PubChem CID: 75019 ChEBI: CHEBI:44235 IUPAC Name: 3-(3,4-dimethoxyphenyl)propanoic acid SMILES: COC1=C(C=C(C=C1)CCC(=O)O)OC

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PubChem CID	75019
CAS	2107-70-2
Molecular Weight (g/mol)	210.229
ChEBI	CHEBI:44235
MDL Number	MFCD00002774
SMILES	COC1=C(C=C(C=C1)CCC(=O)O)OC
Synonym	3-3,4-dimethoxyphenyl propionic acid,3-3,4-dimethoxyphenyl propanoic acid,3,4-dimethoxyhydrocinnamic acid,benzenepropanoic acid, 3,4-dimethoxy,3-3,4-dimethoxyphenyl-propionic acid,3-3,4-dimethoxy-phenyl-propionic acid,unii-6xo32zsp1d,6xo32zsp1d,3-3',4'-dimethoxyphenyl propanoic acid,3-3,4-dimethoxyphenyl propionicacid
IUPAC Name	3-(3,4-dimethoxyphenyl)propanoic acid
InChI Key	LHHKQWQTBCTDQM-UHFFFAOYSA-N
Molecular Formula	C11H14O4

(S)-(+)-2-Phenylpropionic Acid 98.0+%, TCI America™

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

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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

(S)-Benzylsuccinic Acid 98.0+%, TCI America™

CAS: 3972-36-9 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00798341 InChI Key: GTOFKXZQQDSVFH-VIFPVBQESA-N PubChem CID: 446168 IUPAC Name: (2S)-2-benzylbutanedioic acid SMILES: C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O

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Specifications

PubChem CID	446168
CAS	3972-36-9
Molecular Weight (g/mol)	208.213
MDL Number	MFCD00798341
SMILES	C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O
IUPAC Name	(2S)-2-benzylbutanedioic acid
InChI Key	GTOFKXZQQDSVFH-VIFPVBQESA-N
Molecular Formula	C11H12O4

Phenylpropanoic acids

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