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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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Keyword Search:
1 – 15 of 22 results
1

Stearic acid, 90+%

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

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
2

trans-2-Pentenoic acid, 90+%, remainder other isomers

CAS: 13991-37-2 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00002704 InChI Key: YIYBQIKDCADOSF-ONEGZZNKSA-N Synonym: trans-2-pentenoic acid,2-pentenoic acid,e-pent-2-enoic acid,pent-2-enoic acid,2e-pent-2-enoic acid,2-pentenoic acid, 2e,beta-ethyl acrylic acid,c2h5ch=chcooh,pentenoic acid,unii-1rg66883cf PubChem CID: 638122 ChEBI: CHEBI:38366 IUPAC Name: (E)-pent-2-enoic acid SMILES: CC\C=C\C(O)=O

PubChem CID 638122
CAS 13991-37-2
Molecular Weight (g/mol) 100.12
ChEBI CHEBI:38366
MDL Number MFCD00002704
SMILES CC\C=C\C(O)=O
Synonym trans-2-pentenoic acid,2-pentenoic acid,e-pent-2-enoic acid,pent-2-enoic acid,2e-pent-2-enoic acid,2-pentenoic acid, 2e,beta-ethyl acrylic acid,c2h5ch=chcooh,pentenoic acid,unii-1rg66883cf
IUPAC Name (E)-pent-2-enoic acid
InChI Key YIYBQIKDCADOSF-ONEGZZNKSA-N
Molecular Formula C5H8O2
3

Oleic acid, tech. 90%

CAS: 112-80-1 Molecular Formula: C18H34O2 Molecular Weight (g/mol): 282.47 MDL Number: MFCD00064242 InChI Key: ZQPPMHVWECSIRJ-MDZDMXLPSA-N Synonym: oleic acid,cis-9-octadecenoic acid,cis-oleic acid,elaidoic acid,oleate,glycon wo,wecoline oo,pamolyn 100,glycon ro,z-octadec-9-enoic acid PubChem CID: 445639 ChEBI: CHEBI:16196 SMILES: CCCCCCCC\C=C\CCCCCCCC(O)=O

PubChem CID 445639
CAS 112-80-1
Molecular Weight (g/mol) 282.47
ChEBI CHEBI:16196
MDL Number MFCD00064242
SMILES CCCCCCCC\C=C\CCCCCCCC(O)=O
Synonym oleic acid,cis-9-octadecenoic acid,cis-oleic acid,elaidoic acid,oleate,glycon wo,wecoline oo,pamolyn 100,glycon ro,z-octadec-9-enoic acid
InChI Key ZQPPMHVWECSIRJ-MDZDMXLPSA-N
Molecular Formula C18H34O2
4

Erucic acid, tech. 90%

CAS: 112-86-7 Molecular Formula: C22H42O2 Molecular Weight (g/mol): 338.576 MDL Number: MFCD00063188 InChI Key: DPUOLQHDNGRHBS-KTKRTIGZSA-N Synonym: erucic acid,cis-13-docosenoic acid,z-docos-13-enoic acid,13-docosenoic acid, z,cis-erucic acid,13-cis-docosenoic acid,13-docosenoic acid,z-13-docosenoic acid,hystrene 2290 PubChem CID: 5281116 ChEBI: CHEBI:28792 IUPAC Name: (Z)-docos-13-enoic acid SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)O

PubChem CID 5281116
CAS 112-86-7
Molecular Weight (g/mol) 338.576
ChEBI CHEBI:28792
MDL Number MFCD00063188
SMILES CCCCCCCCC=CCCCCCCCCCCCC(=O)O
Synonym erucic acid,cis-13-docosenoic acid,z-docos-13-enoic acid,13-docosenoic acid, z,cis-erucic acid,13-cis-docosenoic acid,13-docosenoic acid,z-13-docosenoic acid,hystrene 2290
IUPAC Name (Z)-docos-13-enoic acid
InChI Key DPUOLQHDNGRHBS-KTKRTIGZSA-N
Molecular Formula C22H42O2
5

Thermo Scientific Chemicals Vinylacetic acid, tech., 90%, unstabilized

CAS: 625-38-7 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002782 InChI Key: PVEOYINWKBTPIZ-UHFFFAOYSA-N Synonym: 3-butenoic acid,vinylacetic acid,vinyl acetic acid,acetic acid, ethenyl,beta-butenoic acid,.beta.-butenoic acid,2-propenylcarboxylic acid,allylic acid,vinylessigsaeure,3-butenoicacid PubChem CID: 32743 ChEBI: CHEBI:35897 IUPAC Name: but-3-enoic acid SMILES: OC(=O)CC=C

PubChem CID 32743
CAS 625-38-7
Molecular Weight (g/mol) 86.09
ChEBI CHEBI:35897
MDL Number MFCD00002782
SMILES OC(=O)CC=C
Synonym 3-butenoic acid,vinylacetic acid,vinyl acetic acid,acetic acid, ethenyl,beta-butenoic acid,.beta.-butenoic acid,2-propenylcarboxylic acid,allylic acid,vinylessigsaeure,3-butenoicacid
IUPAC Name but-3-enoic acid
InChI Key PVEOYINWKBTPIZ-UHFFFAOYSA-N
Molecular Formula C4H6O2
7

5-DOXYL-stearic Acid, Free Radical (>90%), TRC

CAS: 29545-48-0 Molecular Formula: C22H42NO4 Molecular Weight (g/mol): 384.57 Synonym: 2-(3-Carboxypropyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy,2-(3-Carboxypropyl)-2-tridecyl-4,4-dimethyl oxazoline-3-oxyl,2-(3-Carboxypropyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxyl,5-DSA,5-Doxylstearate,5-Doxylstearic acid,5-Nitroxystearate,5-SASL,5NS,K 5D,K 5D (spin probe),2-(3--Carboxypropyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy SMILES: OS(C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F)(=O)=O

CAS 29545-48-0
Molecular Weight (g/mol) 384.57
SMILES OS(C(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)F)(=O)=O
Synonym 2-(3-Carboxypropyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy,2-(3-Carboxypropyl)-2-tridecyl-4,4-dimethyl oxazoline-3-oxyl,2-(3-Carboxypropyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxyl,5-DSA,5-Doxylstearate,5-Doxylstearic acid,5-Nitroxystearate,5-SASL,5NS,K 5D,K 5D (spin probe),2-(3--Carboxypropyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy
Molecular Formula C22H42NO4
8
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Magnesium stearate, 3.8-5.0% Mg

CAS: 557-04-0 Molecular Formula: C36H70MgO4 Molecular Weight (g/mol): 591.27 InChI Key: HQKMJHAJHXVSDF-UHFFFAOYSA-L Synonym: magnesium stearate,magnesium octadecanoate,magnesium distearate,synpro 90,octadecanoic acid, magnesium salt,dibasic magnesium stearate,petrac mg 20nf,ns-m salt,sm-p,stearic acid, magnesium salt PubChem CID: 11177 ChEBI: CHEBI:9254 IUPAC Name: magnesium;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]

EDGE
PubChem CID 11177
CAS 557-04-0
Molecular Weight (g/mol) 591.27
ChEBI CHEBI:9254
SMILES CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
Synonym magnesium stearate,magnesium octadecanoate,magnesium distearate,synpro 90,octadecanoic acid, magnesium salt,dibasic magnesium stearate,petrac mg 20nf,ns-m salt,sm-p,stearic acid, magnesium salt
IUPAC Name magnesium;octadecanoate
InChI Key HQKMJHAJHXVSDF-UHFFFAOYSA-L
Molecular Formula C36H70MgO4
9

4,4,4-Trifluoro-3-hydroxy-3-methylbutyric acid, 98%

CAS: 338-03-4 Molecular Formula: C5H7F3O3 Molecular Weight (g/mol): 172.103 MDL Number: MFCD00039531 InChI Key: JCJGOWYCFRASTM-UHFFFAOYSA-N Synonym: 3-trifluoromethyl-3-hydroxybutyric acid,4,4,4-trifluoro-3-hydroxy-3-methylbutyric acid,3-hydroxy-3-methyl-4,4,4-trifluorobutyric acid,4,4,4-trifluoro-3-hydroxy-3-methyl-butyric acid,butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-methyl,pubchem12644,acmc-20an2r,3-hydroxy-3-trifluoromethylbutyric acid,3-hydroxy-3-trifluoromethyl butyric acid PubChem CID: 136168 IUPAC Name: 4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid SMILES: CC(CC(=O)O)(C(F)(F)F)O

PubChem CID 136168
CAS 338-03-4
Molecular Weight (g/mol) 172.103
MDL Number MFCD00039531
SMILES CC(CC(=O)O)(C(F)(F)F)O
Synonym 3-trifluoromethyl-3-hydroxybutyric acid,4,4,4-trifluoro-3-hydroxy-3-methylbutyric acid,3-hydroxy-3-methyl-4,4,4-trifluorobutyric acid,4,4,4-trifluoro-3-hydroxy-3-methyl-butyric acid,butanoic acid, 4,4,4-trifluoro-3-hydroxy-3-methyl,pubchem12644,acmc-20an2r,3-hydroxy-3-trifluoromethylbutyric acid,3-hydroxy-3-trifluoromethyl butyric acid
IUPAC Name 4,4,4-trifluoro-3-hydroxy-3-methylbutanoic acid
InChI Key JCJGOWYCFRASTM-UHFFFAOYSA-N
Molecular Formula C5H7F3O3
11

2-Methylhexanoic acid, 98%

CAS: 4536-23-6 Molecular Formula: C7H13O2 Molecular Weight (g/mol): 129.18 MDL Number: MFCD00002674 InChI Key: CVKMFSAVYPAZTQ-ZCFIWIBFSA-M Synonym: 2-methylcaproic acid,hexanoic acid, 2-methyl,methylhexanoic acid,2-methyl hexanoic acid,2-hexanecarboxylic acid,alpha-methylcaproic acid,2-methyl-hexanoic acid,fema no. 3191,.alpha.-methylcaproic acid,hexanoic acid, methyl PubChem CID: 20653 SMILES: CCCC[C@@H](C)C([O-])=O

PubChem CID 20653
CAS 4536-23-6
Molecular Weight (g/mol) 129.18
MDL Number MFCD00002674
SMILES CCCC[C@@H](C)C([O-])=O
Synonym 2-methylcaproic acid,hexanoic acid, 2-methyl,methylhexanoic acid,2-methyl hexanoic acid,2-hexanecarboxylic acid,alpha-methylcaproic acid,2-methyl-hexanoic acid,fema no. 3191,.alpha.-methylcaproic acid,hexanoic acid, methyl
InChI Key CVKMFSAVYPAZTQ-ZCFIWIBFSA-M
Molecular Formula C7H13O2
12

Magnesium stearate

CAS: 557-04-0 Molecular Formula: C36H70MgO4 Molecular Weight (g/mol): 591.257 MDL Number: MFCD00036391 InChI Key: HQKMJHAJHXVSDF-UHFFFAOYSA-L Synonym: magnesium stearate,magnesium octadecanoate,magnesium distearate,synpro 90,octadecanoic acid, magnesium salt,dibasic magnesium stearate,petrac mg 20nf,ns-m salt,sm-p,stearic acid, magnesium salt PubChem CID: 11177 ChEBI: CHEBI:9254 IUPAC Name: magnesium;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]

PubChem CID 11177
CAS 557-04-0
Molecular Weight (g/mol) 591.257
ChEBI CHEBI:9254
MDL Number MFCD00036391
SMILES CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
Synonym magnesium stearate,magnesium octadecanoate,magnesium distearate,synpro 90,octadecanoic acid, magnesium salt,dibasic magnesium stearate,petrac mg 20nf,ns-m salt,sm-p,stearic acid, magnesium salt
IUPAC Name magnesium;octadecanoate
InChI Key HQKMJHAJHXVSDF-UHFFFAOYSA-L
Molecular Formula C36H70MgO4
13
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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

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
14

7-Phenylheptanoic acid, 97%

CAS: 40228-90-8 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00037801 InChI Key: ZVSXKFNTWOIGJI-UHFFFAOYSA-N Synonym: benzeneheptanoic acid,phenylheptanoic acid,7-phenyl-heptanoic acid,acmc-20alwn,7-phenylheptanoic acid,xxc PubChem CID: 520987 IUPAC Name: 7-phenylheptanoic acid SMILES: C1=CC=C(C=C1)CCCCCCC(=O)O

PubChem CID 520987
CAS 40228-90-8
Molecular Weight (g/mol) 206.285
MDL Number MFCD00037801
SMILES C1=CC=C(C=C1)CCCCCCC(=O)O
Synonym benzeneheptanoic acid,phenylheptanoic acid,7-phenyl-heptanoic acid,acmc-20alwn,7-phenylheptanoic acid,xxc
IUPAC Name 7-phenylheptanoic acid
InChI Key ZVSXKFNTWOIGJI-UHFFFAOYSA-N
Molecular Formula C13H18O2
15

L-alpha-Hydroxyisocaproic acid, 98%

CAS: 13748-90-8 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 InChI Key: LVRFTAZAXQPQHI-YFKPBYRVSA-N Synonym: l-leucic acid,s-2-hydroxy-4-methylpentanoic acid,2s-2-hydroxy-4-methylpentanoic acid,l-2-hydroxy-4-methylvaleric acid,s-leucic acid,s-2-hydroxy-4-methylvaleric acid,l-2-hydroxyisocaproic acid,l-alpha-hydroxyisocaproic acid,s---2-hydroxyisocaproic acid,pentanoic acid, 2-hydroxy-4-methyl-, 2s PubChem CID: 83697 ChEBI: CHEBI:44510 IUPAC Name: (2S)-2-hydroxy-4-methylpentanoic acid SMILES: CC(C)CC(C(=O)O)O

PubChem CID 83697
CAS 13748-90-8
Molecular Weight (g/mol) 132.16
ChEBI CHEBI:44510
SMILES CC(C)CC(C(=O)O)O
Synonym l-leucic acid,s-2-hydroxy-4-methylpentanoic acid,2s-2-hydroxy-4-methylpentanoic acid,l-2-hydroxy-4-methylvaleric acid,s-leucic acid,s-2-hydroxy-4-methylvaleric acid,l-2-hydroxyisocaproic acid,l-alpha-hydroxyisocaproic acid,s---2-hydroxyisocaproic acid,pentanoic acid, 2-hydroxy-4-methyl-, 2s
IUPAC Name (2S)-2-hydroxy-4-methylpentanoic acid
InChI Key LVRFTAZAXQPQHI-YFKPBYRVSA-N
Molecular Formula C6H12O3