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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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

12-Hydroxystearic acid, tech. 85%

CAS: 106-14-9 Molecular Formula: C18H36O3 Molecular Weight (g/mol): 300.483 MDL Number: MFCD00004592 InChI Key: ULQISTXYYBZJSJ-UHFFFAOYSA-N Synonym: 12-hydroxystearic acid,octadecanoic acid, 12-hydroxy,harwax a,cerit fac 3,hydrofol acid 200,dl-12-hydroxystearic acid,ceroxin gl,barolub fto,loxiol g 21,stearic acid, 12-hydroxy PubChem CID: 7789 ChEBI: CHEBI:85208 IUPAC Name: 12-hydroxyoctadecanoic acid SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)O

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Specifications

PubChem CID	7789
CAS	106-14-9
Molecular Weight (g/mol)	300.483
ChEBI	CHEBI:85208
MDL Number	MFCD00004592
SMILES	CCCCCCC(CCCCCCCCCCC(=O)O)O
Synonym	12-hydroxystearic acid,octadecanoic acid, 12-hydroxy,harwax a,cerit fac 3,hydrofol acid 200,dl-12-hydroxystearic acid,ceroxin gl,barolub fto,loxiol g 21,stearic acid, 12-hydroxy
IUPAC Name	12-hydroxyoctadecanoic acid
InChI Key	ULQISTXYYBZJSJ-UHFFFAOYSA-N
Molecular Formula	C18H36O3

Zinc stearate, ZnO 12.5-14%

CAS: 557-05-1 Molecular Formula: C36H70O4Zn Molecular Weight (g/mol): 632.332 MDL Number: MFCD00013031 InChI Key: XOOUIPVCVHRTMJ-UHFFFAOYSA-L Synonym: zinc stearate,zinc distearate,zinc octadecanoate,stearates,hydense,metallac,hytech,mathe,coad,zink distearat PubChem CID: 11178 IUPAC Name: zinc;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]

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Specifications

PubChem CID	11178
CAS	557-05-1
Molecular Weight (g/mol)	632.332
MDL Number	MFCD00013031
SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]
Synonym	zinc stearate,zinc distearate,zinc octadecanoate,stearates,hydense,metallac,hytech,mathe,coad,zink distearat
IUPAC Name	zinc;octadecanoate
InChI Key	XOOUIPVCVHRTMJ-UHFFFAOYSA-L
Molecular Formula	C36H70O4Zn

trans-2-Hexenoic acid, 96%

CAS: 13419-69-7 Molecular Formula: C6H9O2 Molecular Weight (g/mol): 113.14 MDL Number: MFCD00002705 InChI Key: NIONDZDPPYHYKY-SNAWJCMRSA-M Synonym: trans-2-hexenoic acid,2-hexenoic acid,e-hex-2-enoic acid,hex-2-enoic acid,trans-hex-2-enoic acid,e-2-hexenoic acid,hexenoic acid,2e-hex-2-enoic acid,2-hexenoic acid, 2e,2-hexenoic acid, e PubChem CID: 5282707 ChEBI: CHEBI:87721 IUPAC Name: (E)-hex-2-enoic acid SMILES: CCC\C=C\C([O-])=O

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Specifications

PubChem CID	5282707
CAS	13419-69-7
Molecular Weight (g/mol)	113.14
ChEBI	CHEBI:87721
MDL Number	MFCD00002705
SMILES	CCC\C=C\C([O-])=O
Synonym	trans-2-hexenoic acid,2-hexenoic acid,e-hex-2-enoic acid,hex-2-enoic acid,trans-hex-2-enoic acid,e-2-hexenoic acid,hexenoic acid,2e-hex-2-enoic acid,2-hexenoic acid, 2e,2-hexenoic acid, e
IUPAC Name	(E)-hex-2-enoic acid
InChI Key	NIONDZDPPYHYKY-SNAWJCMRSA-M
Molecular Formula	C6H9O2

Sodium hydrogen fumarate, 98%

CAS: 5873-57-4 Molecular Formula: C4H2NaO4 Molecular Weight (g/mol): 137.05 MDL Number: MFCD00039097 InChI Key: VRVKOZSIJXBAJG-TYYBGVCCSA-L Synonym: sodium hydrogen fumarate,monosodium fumarate,sodium fumarate,maleic acid, sodium salt,maleinian sodu polish,fumaric acid monosodium salt,ccris 7315,2-butenedioic acid 2z-, sodium salt,sodium e-3-carboxyacrylate,maleinian sodu PubChem CID: 6076814 IUPAC Name: sodium;(E)-4-hydroxy-4-oxobut-2-enoate SMILES: [Na+].[O-]C(=O)\C=C\C([O-])=O

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Specifications

PubChem CID	6076814
CAS	5873-57-4
Molecular Weight (g/mol)	137.05
MDL Number	MFCD00039097
SMILES	[Na+].[O-]C(=O)\C=C\C([O-])=O
Synonym	sodium hydrogen fumarate,monosodium fumarate,sodium fumarate,maleic acid, sodium salt,maleinian sodu polish,fumaric acid monosodium salt,ccris 7315,2-butenedioic acid 2z-, sodium salt,sodium e-3-carboxyacrylate,maleinian sodu
IUPAC Name	sodium;(E)-4-hydroxy-4-oxobut-2-enoate
InChI Key	VRVKOZSIJXBAJG-TYYBGVCCSA-L
Molecular Formula	C4H2NaO4

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

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

Heptanoic acid, 98+%

CAS: 111-14-8 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00004426 InChI Key: MNWFXJYAOYHMED-UHFFFAOYSA-N Synonym: enanthic acid,oenanthic acid,n-heptanoic acid,enanthylic acid,heptoic acid,n-heptoic acid,n-heptylic acid,heptylic acid,oenanthylic acid,1-hexanecarboxylic acid PubChem CID: 8094 ChEBI: CHEBI:45571 IUPAC Name: heptanoic acid SMILES: CCCCCCC(=O)O

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Specifications

PubChem CID	8094
CAS	111-14-8
Molecular Weight (g/mol)	130.187
ChEBI	CHEBI:45571
MDL Number	MFCD00004426
SMILES	CCCCCCC(=O)O
Synonym	enanthic acid,oenanthic acid,n-heptanoic acid,enanthylic acid,heptoic acid,n-heptoic acid,n-heptylic acid,heptylic acid,oenanthylic acid,1-hexanecarboxylic acid
IUPAC Name	heptanoic acid
InChI Key	MNWFXJYAOYHMED-UHFFFAOYSA-N
Molecular Formula	C7H14O2

Arachidic acid, 98%

CAS: 506-30-9 Molecular Formula: C20H40O2 Molecular Weight (g/mol): 312.54 MDL Number: MFCD00002755 InChI Key: VKOBVWXKNCXXDE-UHFFFAOYSA-N Synonym: arachidic acid,eicosanoic acid,arachic acid,n-eicosanoic acid,arachidinic acid,arachidate,eicosanoate,unii-pqb8mjd4rb,pqb8mjd4rb,n-eicosanoate PubChem CID: 10467 ChEBI: CHEBI:28822 IUPAC Name: icosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCC(O)=O

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Specifications

PubChem CID	10467
CAS	506-30-9
Molecular Weight (g/mol)	312.54
ChEBI	CHEBI:28822
MDL Number	MFCD00002755
SMILES	CCCCCCCCCCCCCCCCCCCC(O)=O
Synonym	arachidic acid,eicosanoic acid,arachic acid,n-eicosanoic acid,arachidinic acid,arachidate,eicosanoate,unii-pqb8mjd4rb,pqb8mjd4rb,n-eicosanoate
IUPAC Name	icosanoic acid
InChI Key	VKOBVWXKNCXXDE-UHFFFAOYSA-N
Molecular Formula	C20H40O2

2,2-Dimethyl-4-pentenoic acid, 97%

CAS: 16386-93-9 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00012304 InChI Key: BGUAPYRHJPWVEM-UHFFFAOYSA-N Synonym: 2,2-dimethyl-4-pentenoic acid,4-pentenoic acid, 2,2-dimethyl,2,2-dimethyl-pent-4-enoic acid,2,2-dimethyl-4-pentenoicacid,pubchem12797,acmc-1c5lb,ksc495e3r,2,2-dimethyl4-pentenoic acid,2,2-dimethyl-1-4-pentenoic acid 1g PubChem CID: 140065 IUPAC Name: 2,2-dimethylpent-4-enoic acid SMILES: CC(C)(CC=C)C(O)=O

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Specifications

PubChem CID	140065
CAS	16386-93-9
Molecular Weight (g/mol)	128.17
MDL Number	MFCD00012304
SMILES	CC(C)(CC=C)C(O)=O
Synonym	2,2-dimethyl-4-pentenoic acid,4-pentenoic acid, 2,2-dimethyl,2,2-dimethyl-pent-4-enoic acid,2,2-dimethyl-4-pentenoicacid,pubchem12797,acmc-1c5lb,ksc495e3r,2,2-dimethyl4-pentenoic acid,2,2-dimethyl-1-4-pentenoic acid 1g
IUPAC Name	2,2-dimethylpent-4-enoic acid
InChI Key	BGUAPYRHJPWVEM-UHFFFAOYSA-N
Molecular Formula	C7H12O2

3,3-Diphenylpropionitrile, Thermo Scientific Chemicals

CAS: 2286-54-6 MDL Number: MFCD00129747 InChI Key: INERKLNEVAZSCI-UHFFFAOYSA-N IUPAC Name: 3,3-diphenylpropanenitrile SMILES: N#CCC(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

CAS	2286-54-6
MDL Number	MFCD00129747
SMILES	N#CCC(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	3,3-diphenylpropanenitrile
InChI Key	INERKLNEVAZSCI-UHFFFAOYSA-N

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

Behenic acid, tech. 85%

CAS: 112-85-6 Molecular Formula: C22H44O2 Molecular Weight (g/mol): 340.592 MDL Number: MFCD00002807 InChI Key: UKMSUNONTOPOIO-UHFFFAOYSA-N Synonym: behenic acid,1-docosanoic acid,n-docosanoic acid,hydrofol acid 560,docosoic acid,hydrofol 2022-55,glycon b-70,behensaeure,docosanoicacid,docosansaeure PubChem CID: 8215 ChEBI: CHEBI:28941 IUPAC Name: docosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	8215
CAS	112-85-6
Molecular Weight (g/mol)	340.592
ChEBI	CHEBI:28941
MDL Number	MFCD00002807
SMILES	CCCCCCCCCCCCCCCCCCCCCC(=O)O
Synonym	behenic acid,1-docosanoic acid,n-docosanoic acid,hydrofol acid 560,docosoic acid,hydrofol 2022-55,glycon b-70,behensaeure,docosanoicacid,docosansaeure
IUPAC Name	docosanoic acid
InChI Key	UKMSUNONTOPOIO-UHFFFAOYSA-N
Molecular Formula	C22H44O2

Calcium 2-ethylhexanoate, Superconductor Grade, in 2-ethylhexanoic acid (3-8% Ca)

CAS: 136-51-6 Molecular Formula: C16H30CaO4 Molecular Weight (g/mol): 326.49 MDL Number: MFCD00014001 InChI Key: LTPCXXMGKDQPAO-UHFFFAOYSA-L Synonym: calcium 2-ethylhexanoate,calcium bis 2-ethylhexanoate,hexanoic acid, 2-ethyl-, calcium salt,hexanoic acid, 2-ethyl-, calcium salt 2:1,calcium 2-ethyl-hexanoate,octope ca,calcium hex-cem,nikka octhix calcium,calcium 2-ethylhexoate,dsstox_cid_7063 PubChem CID: 61082 IUPAC Name: calcium;2-ethylhexanoate SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]

Pricing and Availability
Specifications

PubChem CID	61082
CAS	136-51-6
Molecular Weight (g/mol)	326.49
MDL Number	MFCD00014001
SMILES	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]
Synonym	calcium 2-ethylhexanoate,calcium bis 2-ethylhexanoate,hexanoic acid, 2-ethyl-, calcium salt,hexanoic acid, 2-ethyl-, calcium salt 2:1,calcium 2-ethyl-hexanoate,octope ca,calcium hex-cem,nikka octhix calcium,calcium 2-ethylhexoate,dsstox_cid_7063
IUPAC Name	calcium;2-ethylhexanoate
InChI Key	LTPCXXMGKDQPAO-UHFFFAOYSA-L
Molecular Formula	C16H30CaO4

4,4,4-Trifluorobutyric acid, 97%

CAS: 406-93-9 Molecular Formula: C4H5F3O2 Molecular Weight (g/mol): 142.077 MDL Number: MFCD00077604 InChI Key: WTUCTMYLCMVYEX-UHFFFAOYSA-N Synonym: 4,4,4-trifluorobutyric acid,4,4,4-trifluoro-butyric acid,butanoic acid, 4,4,4-trifluoro,zlchem 266,acmc-1ai6e,4,4,4-trifluorobutyricacid,trifluoropropylcarboxylic acid,4,4,4 trifluorobutyric acid,ksc237i6h,3-trifluoromethylpropionic acid PubChem CID: 2777085 IUPAC Name: 4,4,4-trifluorobutanoic acid SMILES: C(CC(F)(F)F)C(=O)O

Pricing and Availability
Specifications

PubChem CID	2777085
CAS	406-93-9
Molecular Weight (g/mol)	142.077
MDL Number	MFCD00077604
SMILES	C(CC(F)(F)F)C(=O)O
Synonym	4,4,4-trifluorobutyric acid,4,4,4-trifluoro-butyric acid,butanoic acid, 4,4,4-trifluoro,zlchem 266,acmc-1ai6e,4,4,4-trifluorobutyricacid,trifluoropropylcarboxylic acid,4,4,4 trifluorobutyric acid,ksc237i6h,3-trifluoromethylpropionic acid
IUPAC Name	4,4,4-trifluorobutanoic acid
InChI Key	WTUCTMYLCMVYEX-UHFFFAOYSA-N
Molecular Formula	C4H5F3O2

Fatty acid conjugates

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