Fatty acid conjugates

Positional and geometric isomers of fatty acids with conjugated double bonds; implies four consecutive unsaturated links, and results in a delocalization of electrons along the double-bonded carbons; available in carbon chains of varying length.

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Dodecanoic acid, typically 99.5%

CAS: 143-07-7 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.322 MDL Number: MFCD00002736 InChI Key: POULHZVOKOAJMA-UHFFFAOYSA-N Synonym: lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12 PubChem CID: 3893 ChEBI: CHEBI:30805 IUPAC Name: dodecanoic acid SMILES: CCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	3893
CAS	143-07-7
Molecular Weight (g/mol)	200.322
ChEBI	CHEBI:30805
MDL Number	MFCD00002736
SMILES	CCCCCCCCCCCC(=O)O
Synonym	lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12
IUPAC Name	dodecanoic acid
InChI Key	POULHZVOKOAJMA-UHFFFAOYSA-N
Molecular Formula	C12H24O2

Potassium sorbate, 99%

CAS: 24634-61-5 Molecular Formula: C6H7KO2 Molecular Weight (g/mol): 150.218 MDL Number: MFCD00016546 InChI Key: CHHHXKFHOYLYRE-STWYSWDKSA-M Synonym: potassium sorbate,sorbistat-k,potassium 2,4-hexadienoate,sorbistat potassium,potassium e,e-sorbate,sorbic acid potassium salt,potassium 2e,4e-hexa-2,4-dienoate,bb powder,sorbistat-potassium,caswell no. 701c PubChem CID: 23676745 ChEBI: CHEBI:77868 IUPAC Name: potassium;(2E,4E)-hexa-2,4-dienoate SMILES: CC=CC=CC(=O)[O-].[K+]

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Specifications

PubChem CID	23676745
CAS	24634-61-5
Molecular Weight (g/mol)	150.218
ChEBI	CHEBI:77868
MDL Number	MFCD00016546
SMILES	CC=CC=CC(=O)[O-].[K+]
Synonym	potassium sorbate,sorbistat-k,potassium 2,4-hexadienoate,sorbistat potassium,potassium e,e-sorbate,sorbic acid potassium salt,potassium 2e,4e-hexa-2,4-dienoate,bb powder,sorbistat-potassium,caswell no. 701c
IUPAC Name	potassium;(2E,4E)-hexa-2,4-dienoate
InChI Key	CHHHXKFHOYLYRE-STWYSWDKSA-M
Molecular Formula	C6H7KO2

Ethylmalonic acid, 97+%

CAS: 601-75-2 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00002668 InChI Key: UKFXDFUAPNAMPJ-UHFFFAOYSA-N Synonym: ethylmalonic acid,2-ethylmalonic acid,propanedioic acid, ethyl,1,1-propanedicarboxylic acid,alpha-carboxybutyric acid,malonic acid, ethyl,ethylmalonate,ethyl-malonic acid,unii-432nf49dfg,ethylpropanedioic acid PubChem CID: 11756 ChEBI: CHEBI:741548 IUPAC Name: 2-ethylpropanedioic acid SMILES: CCC(C(=O)O)C(=O)O

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Specifications

PubChem CID	11756
CAS	601-75-2
Molecular Weight (g/mol)	132.115
ChEBI	CHEBI:741548
MDL Number	MFCD00002668
SMILES	CCC(C(=O)O)C(=O)O
Synonym	ethylmalonic acid,2-ethylmalonic acid,propanedioic acid, ethyl,1,1-propanedicarboxylic acid,alpha-carboxybutyric acid,malonic acid, ethyl,ethylmalonate,ethyl-malonic acid,unii-432nf49dfg,ethylpropanedioic acid
IUPAC Name	2-ethylpropanedioic acid
InChI Key	UKFXDFUAPNAMPJ-UHFFFAOYSA-N
Molecular Formula	C5H8O4

Mucobromic acid, 98+%

CAS: 488-11-9 Molecular Formula: C4HBr2O3- Molecular Weight (g/mol): 256.857 MDL Number: MFCD00063745 InChI Key: NCNYEGJDGNOYJX-IHWYPQMZSA-M Synonym: mucobromic acid,z-2,3-dibromo-4-oxo-2-butenoate,z-2,3-dibromo-4-oxobut-2-enoate,2z-2,3-dibromo-4-oxobut-2-enoate,z-2,3-bis bromanyl-4-oxidanylidene-but-2-enoate PubChem CID: 6994897 IUPAC Name: (Z)-2,3-dibromo-4-oxobut-2-enoate SMILES: C(=O)C(=C(C(=O)[O-])Br)Br

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Specifications

PubChem CID	6994897
CAS	488-11-9
Molecular Weight (g/mol)	256.857
MDL Number	MFCD00063745
SMILES	C(=O)C(=C(C(=O)[O-])Br)Br
Synonym	mucobromic acid,z-2,3-dibromo-4-oxo-2-butenoate,z-2,3-dibromo-4-oxobut-2-enoate,2z-2,3-dibromo-4-oxobut-2-enoate,z-2,3-bis bromanyl-4-oxidanylidene-but-2-enoate
IUPAC Name	(Z)-2,3-dibromo-4-oxobut-2-enoate
InChI Key	NCNYEGJDGNOYJX-IHWYPQMZSA-M
Molecular Formula	C4HBr2O3-

2-n-Propylheptanoic acid, 97%

CAS: 31080-39-4 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD01723758 InChI Key: RXGPYPPCEXISOV-UHFFFAOYNA-N Synonym: 2-propylheptanic acid,4-nonanecarboxylic acid,heptanoic acid,2-propyl,heptanoic acid, 2-propyl,2-propylheptansaeure german,2-n-propylheptanoic acid,2-n-propyl-1-heptanoic acid,2-propylheptansaeure,2-02-00-00313 beilstein handbook reference PubChem CID: 35728 IUPAC Name: 2-propylheptanoic acid SMILES: CCCCCC(CCC)C(O)=O

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Specifications

PubChem CID	35728
CAS	31080-39-4
Molecular Weight (g/mol)	172.27
MDL Number	MFCD01723758
SMILES	CCCCCC(CCC)C(O)=O
Synonym	2-propylheptanic acid,4-nonanecarboxylic acid,heptanoic acid,2-propyl,heptanoic acid, 2-propyl,2-propylheptansaeure german,2-n-propylheptanoic acid,2-n-propyl-1-heptanoic acid,2-propylheptansaeure,2-02-00-00313 beilstein handbook reference
IUPAC Name	2-propylheptanoic acid
InChI Key	RXGPYPPCEXISOV-UHFFFAOYNA-N
Molecular Formula	C10H20O2

n-Tridecanoic acid, 97%

CAS: 638-53-9 Molecular Formula: C₁₃H₂₆O₂ Molecular Weight (g/mol): 214.35 MDL Number: MFCD00002741 InChI Key: SZHOJFHSIKHZHA-UHFFFAOYSA-N Synonym: n-tridecanoic acid,tridecylic acid,n-tridecoic acid,unii-19936liy2v,anion,tridecanoic acid,wln: qv12,c10-16 fatty acids,fatty acids, c10-16,carboxylic acids, c10-16 PubChem CID: 12530 ChEBI: CHEBI:45919 IUPAC Name: tridecanoic acid SMILES: CCCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	12530
CAS	638-53-9
Molecular Weight (g/mol)	214.35
ChEBI	CHEBI:45919
MDL Number	MFCD00002741
SMILES	CCCCCCCCCCCCC(=O)O
Synonym	n-tridecanoic acid,tridecylic acid,n-tridecoic acid,unii-19936liy2v,anion,tridecanoic acid,wln: qv12,c10-16 fatty acids,fatty acids, c10-16,carboxylic acids, c10-16
IUPAC Name	tridecanoic acid
InChI Key	SZHOJFHSIKHZHA-UHFFFAOYSA-N
Molecular Formula	C₁₃H₂₆O₂

Sodium 2-ethylhexanoate, 97%

CAS: 19766-89-3 Molecular Formula: C8H15NaO2 Molecular Weight (g/mol): 166.20 MDL Number: MFCD00014007 InChI Key: VYPDUQYOLCLEGS-UHFFFAOYNA-M Synonym: sodium 2-ethylhexanoate,hexanoic acid, 2-ethyl-, sodium salt,2-ethylhexanoic acid sodium salt,sodium-2-ethylcaproate,2-ethylcaproic acid sodium salt,hexanoic acid, 2-ethyl-, sodium salt 1:1,sodium 2ethylhexanoate,sodium 2-ethylcaproate,sodium 2-ethyl-hexanoate PubChem CID: 23672331 IUPAC Name: sodium;2-ethylhexanoate SMILES: [Na+].CCCCC(CC)C([O-])=O

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Specifications

PubChem CID	23672331
CAS	19766-89-3
Molecular Weight (g/mol)	166.20
MDL Number	MFCD00014007
SMILES	[Na+].CCCCC(CC)C([O-])=O
Synonym	sodium 2-ethylhexanoate,hexanoic acid, 2-ethyl-, sodium salt,2-ethylhexanoic acid sodium salt,sodium-2-ethylcaproate,2-ethylcaproic acid sodium salt,hexanoic acid, 2-ethyl-, sodium salt 1:1,sodium 2ethylhexanoate,sodium 2-ethylcaproate,sodium 2-ethyl-hexanoate
IUPAC Name	sodium;2-ethylhexanoate
InChI Key	VYPDUQYOLCLEGS-UHFFFAOYNA-M
Molecular Formula	C8H15NaO2

6-(Boc-amino)hexanoic acid, 95%

CAS: 6404-29-1 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.292 MDL Number: MFCD00037798 InChI Key: RUFDYIJGNPVTAY-UHFFFAOYSA-N Synonym: boc-epsilon-acp-oh,boc-6-aminocaproic acid,6-tert-butoxycarbonyl amino hexanoic acid,boc-6-ahx-oh,6-boc-amino hexanoic acid,boc-,a-acp-oh,hexanoic acid, 6-1,1-dimethylethoxy carbonyl amino,n-boc-6-aminohexanoic acid,6-boc-amino caproic acid PubChem CID: 637602 IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)O

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Specifications

PubChem CID	637602
CAS	6404-29-1
Molecular Weight (g/mol)	231.292
MDL Number	MFCD00037798
SMILES	CC(C)(C)OC(=O)NCCCCCC(=O)O
Synonym	boc-epsilon-acp-oh,boc-6-aminocaproic acid,6-tert-butoxycarbonyl amino hexanoic acid,boc-6-ahx-oh,6-boc-amino hexanoic acid,boc-,a-acp-oh,hexanoic acid, 6-1,1-dimethylethoxy carbonyl amino,n-boc-6-aminohexanoic acid,6-boc-amino caproic acid
IUPAC Name	6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI Key	RUFDYIJGNPVTAY-UHFFFAOYSA-N
Molecular Formula	C11H21NO4

Cerium(III) 2-ethylhexanoate, 49% in 2-ethylhexanoic acid, Ce 12%

CAS: 56797-01-4 Molecular Formula: C24H45CeO6 Molecular Weight (g/mol): 569.73 MDL Number: MFCD00014004 InChI Key: GGVUYAXGAOIFIC-UHFFFAOYNA-K Synonym: cerium iii 2-ethylhexanoate,hexanoic acid, 2-ethyl-, cerium salt,cerium tris 2-ethylhexanoate,hexanoic acid, 2-ethyl-, cerium salt 1:?,hexanoic acid, 2-ethyl-, cerium 3+ salt 3:1,hexanoic acid, 2-ethyl-, cerium 3+ salt,cerium 2-ethylhexanoate,cerous 2-ethylhexanoate,2-ethylhexanoic acid, cerium salt,cerium hex-cem PubChem CID: 62122 IUPAC Name: cerium(3+);2-ethylhexanoate SMILES: [Ce+3].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O

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Specifications

PubChem CID	62122
CAS	56797-01-4
Molecular Weight (g/mol)	569.73
MDL Number	MFCD00014004
SMILES	[Ce+3].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
Synonym	cerium iii 2-ethylhexanoate,hexanoic acid, 2-ethyl-, cerium salt,cerium tris 2-ethylhexanoate,hexanoic acid, 2-ethyl-, cerium salt 1:?,hexanoic acid, 2-ethyl-, cerium 3+ salt 3:1,hexanoic acid, 2-ethyl-, cerium 3+ salt,cerium 2-ethylhexanoate,cerous 2-ethylhexanoate,2-ethylhexanoic acid, cerium salt,cerium hex-cem
IUPAC Name	cerium(3+);2-ethylhexanoate
InChI Key	GGVUYAXGAOIFIC-UHFFFAOYNA-K
Molecular Formula	C24H45CeO6

(R)-2-(Boc-amino)butyric acid, 95%

CAS: 45121-22-0 Molecular Formula: C9H17NO4 Molecular Weight (g/mol): 203.238 MDL Number: MFCD00270335 InChI Key: PNFVIPIQXAIUAY-ZCFIWIBFSA-N Synonym: boc-d-abu-oh,r-2-tert-butoxycarbonyl amino butanoic acid,r-n-boc-2-aminobutyric acid,boc-d-alpha-aminobutyric acid,boc-r-2-aminobutyric acid,boc-d-2-aminobutyric acid,2r-2-tert-butoxycarbonyl amino butanoic acid,2r-2-tert-butoxy carbonyl amino butanoic acid,butanoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,2-r-tert-butoxycarbonylaminobutyric acid PubChem CID: 2755936 IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid SMILES: CCC(C(=O)O)NC(=O)OC(C)(C)C

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Specifications

PubChem CID	2755936
CAS	45121-22-0
Molecular Weight (g/mol)	203.238
MDL Number	MFCD00270335
SMILES	CCC(C(=O)O)NC(=O)OC(C)(C)C
Synonym	boc-d-abu-oh,r-2-tert-butoxycarbonyl amino butanoic acid,r-n-boc-2-aminobutyric acid,boc-d-alpha-aminobutyric acid,boc-r-2-aminobutyric acid,boc-d-2-aminobutyric acid,2r-2-tert-butoxycarbonyl amino butanoic acid,2r-2-tert-butoxy carbonyl amino butanoic acid,butanoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,2-r-tert-butoxycarbonylaminobutyric acid
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI Key	PNFVIPIQXAIUAY-ZCFIWIBFSA-N
Molecular Formula	C9H17NO4

11-Maleimidoundecanoic acid

CAS: 57079-01-3 Molecular Formula: C15H23NO4 Molecular Weight (g/mol): 281.352 MDL Number: MFCD00941279 InChI Key: UVZTZBRGZXIBLZ-UHFFFAOYSA-N Synonym: 11-maleimidoundecanoic acid,11-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl undecanoic acid,unii-lg78ey7hvb,n-10-carboxydecyl maleimide,11-2,5-dioxopyrrol-1-yl undecanoic acid,lg78ey7hvb,maleimide-ch2 10-cooh,1h-pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo,kmua,pubchem11837 PubChem CID: 4618600 IUPAC Name: 11-(2,5-dioxopyrrol-1-yl)undecanoic acid SMILES: C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)O

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Specifications

PubChem CID	4618600
CAS	57079-01-3
Molecular Weight (g/mol)	281.352
MDL Number	MFCD00941279
SMILES	C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)O
Synonym	11-maleimidoundecanoic acid,11-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl undecanoic acid,unii-lg78ey7hvb,n-10-carboxydecyl maleimide,11-2,5-dioxopyrrol-1-yl undecanoic acid,lg78ey7hvb,maleimide-ch2 10-cooh,1h-pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo,kmua,pubchem11837
IUPAC Name	11-(2,5-dioxopyrrol-1-yl)undecanoic acid
InChI Key	UVZTZBRGZXIBLZ-UHFFFAOYSA-N
Molecular Formula	C15H23NO4

Stearic acid, 97%

CAS: 57-11-4 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00002752 InChI Key: QIQXTHQIDYTFRH-UHFFFAOYSA-N Synonym: stearic acid,stearophanic acid,n-octadecanoic acid,cetylacetic acid,pearl stearic,stearex beads,octadecansaeure,stearinsaeure,vanicol,1-heptadecanecarboxylic acid PubChem CID: 5281 ChEBI: CHEBI:28842 IUPAC Name: octadecanoic acid SMILES: CCCCCCCCCCCCCCCCCC(O)=O

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Specifications

PubChem CID	5281
CAS	57-11-4
Molecular Weight (g/mol)	284.48
ChEBI	CHEBI:28842
MDL Number	MFCD00002752
SMILES	CCCCCCCCCCCCCCCCCC(O)=O
Synonym	stearic acid,stearophanic acid,n-octadecanoic acid,cetylacetic acid,pearl stearic,stearex beads,octadecansaeure,stearinsaeure,vanicol,1-heptadecanecarboxylic acid
IUPAC Name	octadecanoic acid
InChI Key	QIQXTHQIDYTFRH-UHFFFAOYSA-N
Molecular Formula	C18H36O2

PubChem CID	3893
CAS	143-07-7
Molecular Weight (g/mol)	200.322
ChEBI	CHEBI:30805
MDL Number	MFCD00002736
SMILES	CCCCCCCCCCCC(=O)O
Synonym	lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12
IUPAC Name	dodecanoic acid
InChI Key	POULHZVOKOAJMA-UHFFFAOYSA-N
Molecular Formula	C12H24O2

Pentadecanoic acid, 99%

CAS: 1002-84-2 Molecular Formula: C15H30O2 Molecular Weight (g/mol): 242.403 MDL Number: MFCD00002745 InChI Key: WQEPLUUGTLDZJY-UHFFFAOYSA-N Synonym: pentadecylic acid,n-pentadecanoic acid,pentadecyclic acid,n-pentadecylic acid,unii-ccw02d961f,pentadecyclate,n-pentadecylate,n-pentadecanoate,n-pentadecanoicacid,pentadecansäure PubChem CID: 13849 ChEBI: CHEBI:42504 IUPAC Name: pentadecanoic acid SMILES: CCCCCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	13849
CAS	1002-84-2
Molecular Weight (g/mol)	242.403
ChEBI	CHEBI:42504
MDL Number	MFCD00002745
SMILES	CCCCCCCCCCCCCCC(=O)O
Synonym	pentadecylic acid,n-pentadecanoic acid,pentadecyclic acid,n-pentadecylic acid,unii-ccw02d961f,pentadecyclate,n-pentadecylate,n-pentadecanoate,n-pentadecanoicacid,pentadecansäure
IUPAC Name	pentadecanoic acid
InChI Key	WQEPLUUGTLDZJY-UHFFFAOYSA-N
Molecular Formula	C15H30O2

Itaconic acid, 99%

CAS: 97-65-4 Molecular Formula: C5H6O4 Molecular Weight (g/mol): 130.099 MDL Number: MFCD00004260 InChI Key: LVHBHZANLOWSRM-UHFFFAOYSA-N Synonym: itaconic acid,2-methylenesuccinic acid,methylenesuccinic acid,methylenebutanedioic acid,propylenedicarboxylic acid,itaconate,2-propene-1,2-dicarboxylic acid,butanedioic acid, methylene,succinic acid, methylene,2-methylenebutanedioic acid PubChem CID: 811 ChEBI: CHEBI:30838 IUPAC Name: 2-methylidenebutanedioic acid SMILES: C=C(CC(=O)O)C(=O)O

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Specifications

PubChem CID	811
CAS	97-65-4
Molecular Weight (g/mol)	130.099
ChEBI	CHEBI:30838
MDL Number	MFCD00004260
SMILES	C=C(CC(=O)O)C(=O)O
Synonym	itaconic acid,2-methylenesuccinic acid,methylenesuccinic acid,methylenebutanedioic acid,propylenedicarboxylic acid,itaconate,2-propene-1,2-dicarboxylic acid,butanedioic acid, methylene,succinic acid, methylene,2-methylenebutanedioic acid
IUPAC Name	2-methylidenebutanedioic acid
InChI Key	LVHBHZANLOWSRM-UHFFFAOYSA-N
Molecular Formula	C5H6O4

Fatty acid conjugates

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