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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2-Pentynoic acid, 97%

CAS: 5963-77-9 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.101 MDL Number: MFCD00014370 InChI Key: MINRDQDGBLQBGD-UHFFFAOYSA-N Synonym: 2-pentynoic acid,pentynoic acid,2-pentynoicacid,2-pentyneoic acid,acmc-1ay8s PubChem CID: 324379 IUPAC Name: pent-2-ynoic acid SMILES: CCC#CC(=O)O

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Specifications

PubChem CID	324379
CAS	5963-77-9
Molecular Weight (g/mol)	98.101
MDL Number	MFCD00014370
SMILES	CCC#CC(=O)O
Synonym	2-pentynoic acid,pentynoic acid,2-pentynoicacid,2-pentyneoic acid,acmc-1ay8s
IUPAC Name	pent-2-ynoic acid
InChI Key	MINRDQDGBLQBGD-UHFFFAOYSA-N
Molecular Formula	C5H6O2

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

Pricing and Availability
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

tert-Butyl hydrogen succinate, 97%

CAS: 15026-17-2 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.20 MDL Number: MFCD00273441 InChI Key: PCOCFIOYWNCGBM-UHFFFAOYSA-N Synonym: mono-tert-butyl succinate,4-tert-butoxy-4-oxobutanoic acid,succinic acid mono-tert-butyl ester,tert-butyl hydrogen succinate,mono-t-butyl succinate,pubchem11616,succinic acid 1-tert-butyl ester,succinic acid 4-tert-butyl ester PubChem CID: 4139107 IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid SMILES: CC(C)(C)OC(=O)CCC(O)=O

Pricing and Availability
Specifications

PubChem CID	4139107
CAS	15026-17-2
Molecular Weight (g/mol)	174.20
MDL Number	MFCD00273441
SMILES	CC(C)(C)OC(=O)CCC(O)=O
Synonym	mono-tert-butyl succinate,4-tert-butoxy-4-oxobutanoic acid,succinic acid mono-tert-butyl ester,tert-butyl hydrogen succinate,mono-t-butyl succinate,pubchem11616,succinic acid 1-tert-butyl ester,succinic acid 4-tert-butyl ester
IUPAC Name	4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI Key	PCOCFIOYWNCGBM-UHFFFAOYSA-N
Molecular Formula	C8H14O4

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

Pricing and Availability
Specifications

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

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

Sebacic acid, 98+%

CAS: 111-20-6 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00004440 InChI Key: CXMXRPHRNRROMY-UHFFFAOYSA-N Synonym: sebacic acid,1,8-octanedicarboxylic acid,1,10-decanedioic acid,sebacic acids,decanedicarboxylic acid,n-decanedioic acid,sebacinsaure,acide sebacique,sebacate,sebacinsaeure PubChem CID: 5192 ChEBI: CHEBI:41865 IUPAC Name: decanedioic acid SMILES: C(CCCCC(=O)O)CCCC(=O)O

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Specifications

PubChem CID	5192
CAS	111-20-6
Molecular Weight (g/mol)	202.25
ChEBI	CHEBI:41865
MDL Number	MFCD00004440
SMILES	C(CCCCC(=O)O)CCCC(=O)O
Synonym	sebacic acid,1,8-octanedicarboxylic acid,1,10-decanedioic acid,sebacic acids,decanedicarboxylic acid,n-decanedioic acid,sebacinsaure,acide sebacique,sebacate,sebacinsaeure
IUPAC Name	decanedioic acid
InChI Key	CXMXRPHRNRROMY-UHFFFAOYSA-N
Molecular Formula	C10H18O4

Acetylenedicarboxylic acid, 97%

CAS: 142-45-0 Molecular Formula: C4H2O4 Molecular Weight (g/mol): 114.06 MDL Number: MFCD00004362 InChI Key: YTIVTFGABIZHHX-UHFFFAOYSA-N Synonym: acetylenedicarboxylic acid,2-butynedioic acid,butynedioic acid,acetylenedicarboxylate,unii-2d2oj4ko44,acetylenedicarboxylic acid 8ci,acetylendicarboxylate,hoocc=ccooh,acetylenedicarboxylicacid,pubchem13735 PubChem CID: 371 ChEBI: CHEBI:30781 IUPAC Name: but-2-ynedioic acid SMILES: OC(=O)C#CC(O)=O

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Specifications

PubChem CID	371
CAS	142-45-0
Molecular Weight (g/mol)	114.06
ChEBI	CHEBI:30781
MDL Number	MFCD00004362
SMILES	OC(=O)C#CC(O)=O
Synonym	acetylenedicarboxylic acid,2-butynedioic acid,butynedioic acid,acetylenedicarboxylate,unii-2d2oj4ko44,acetylenedicarboxylic acid 8ci,acetylendicarboxylate,hoocc=ccooh,acetylenedicarboxylicacid,pubchem13735
IUPAC Name	but-2-ynedioic acid
InChI Key	YTIVTFGABIZHHX-UHFFFAOYSA-N
Molecular Formula	C4H2O4

Copper(II) 2-ethylhexanoate

CAS: 149-11-1 Molecular Formula: C16H32CuO4 Molecular Weight (g/mol): 351.974 MDL Number: MFCD00015695 InChI Key: SZXCZUDYSKBGSX-UHFFFAOYSA-N Synonym: copper bis 2-ethylhexanoate PubChem CID: 85309523 IUPAC Name: copper;2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Cu]

Pricing and Availability
Specifications

PubChem CID	85309523
CAS	149-11-1
Molecular Weight (g/mol)	351.974
MDL Number	MFCD00015695
SMILES	CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Cu]
Synonym	copper bis 2-ethylhexanoate
IUPAC Name	copper;2-ethylhexanoic acid
InChI Key	SZXCZUDYSKBGSX-UHFFFAOYSA-N
Molecular Formula	C16H32CuO4

Thermo Scientific Chemicals Mycophenolic acid, 98%

CAS: 24280-93-1 Molecular Formula: C₁₇H₂₀O₆ Molecular Weight (g/mol): 320.34 InChI Key: HPNSFSBZBAHARI-RUDMXATFSA-N Synonym: mycophenolic acid,mycophenolate,melbex,myfortic,mycophenolsaeure,acido micofenolico,micofenolico acido,acide mycophenolique,acidum mycophenolicum,6-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl-4-methyl-4-hexenoic acid PubChem CID: 446541 ChEBI: CHEBI:168396 IUPAC Name: (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid SMILES: CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC

Pricing and Availability
Specifications

PubChem CID	446541
CAS	24280-93-1
Molecular Weight (g/mol)	320.34
ChEBI	CHEBI:168396
SMILES	CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC
Synonym	mycophenolic acid,mycophenolate,melbex,myfortic,mycophenolsaeure,acido micofenolico,micofenolico acido,acide mycophenolique,acidum mycophenolicum,6-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl-4-methyl-4-hexenoic acid
IUPAC Name	(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
InChI Key	HPNSFSBZBAHARI-RUDMXATFSA-N
Molecular Formula	C₁₇H₂₀O₆

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

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Specifications

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

Titanium(IV) 2-ethylhexanoate, 97%

CAS: 3645-34-9 Molecular Formula: C32H60O8Ti Molecular Weight (g/mol): 620.69 MDL Number: MFCD05663781 InChI Key: GDKAXSGMPFSRJY-UHFFFAOYNA-J Synonym: titanium iv 2-ethylhexanoate,hexanoic acid, 2-ethyl-, titanium 4+ salt,titanium ethylhexanoate,hexanoic acid, 2-ethyl-, titanium 4+ salt 4:1,2-ethylhexanoate; titanium 4+,titanium iv 2-ethylhexanoate 100g,tetrakis 2-ethylhexanoic acid titanium iv salt,titanium 4+ tetrakis 2-ethylhexanoate PubChem CID: 6451578 IUPAC Name: 2-ethylhexanoate;titanium(4+) SMILES: [Ti+4].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O

Pricing and Availability
Specifications

PubChem CID	6451578
CAS	3645-34-9
Molecular Weight (g/mol)	620.69
MDL Number	MFCD05663781
SMILES	[Ti+4].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
Synonym	titanium iv 2-ethylhexanoate,hexanoic acid, 2-ethyl-, titanium 4+ salt,titanium ethylhexanoate,hexanoic acid, 2-ethyl-, titanium 4+ salt 4:1,2-ethylhexanoate; titanium 4+,titanium iv 2-ethylhexanoate 100g,tetrakis 2-ethylhexanoic acid titanium iv salt,titanium 4+ tetrakis 2-ethylhexanoate
IUPAC Name	2-ethylhexanoate;titanium(4+)
InChI Key	GDKAXSGMPFSRJY-UHFFFAOYNA-J
Molecular Formula	C32H60O8Ti

Vinylacetic acid, 96%

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

Pricing and Availability
Specifications

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

Fumaric acid, 99%

CAS: 110-17-8 Molecular Formula: C4H4O4 Molecular Weight (g/mol): 116.07 MDL Number: MFCD00002700 InChI Key: VZCYOOQTPOCHFL-OWOJBTEDSA-N Synonym: fumaric acid,2-butenedioic acid,trans-butenedioic acid,allomaleic acid,boletic acid,lichenic acid,tumaric acid,2e-but-2-enedioic acid,butenedioic acid,trans-2-butenedioic acid PubChem CID: 444972 ChEBI: CHEBI:18012 IUPAC Name: (E)-but-2-enedioic acid SMILES: OC(=O)\C=C\C(O)=O

Pricing and Availability
Specifications

PubChem CID	444972
CAS	110-17-8
Molecular Weight (g/mol)	116.07
ChEBI	CHEBI:18012
MDL Number	MFCD00002700
SMILES	OC(=O)\C=C\C(O)=O
Synonym	fumaric acid,2-butenedioic acid,trans-butenedioic acid,allomaleic acid,boletic acid,lichenic acid,tumaric acid,2e-but-2-enedioic acid,butenedioic acid,trans-2-butenedioic acid
IUPAC Name	(E)-but-2-enedioic acid
InChI Key	VZCYOOQTPOCHFL-OWOJBTEDSA-N
Molecular Formula	C4H4O4

Octanoic acid, 98+%

CAS: 124-07-2 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00004429 InChI Key: WWZKQHOCKIZLMA-UHFFFAOYSA-N Synonym: caprylic acid,n-octanoic acid,octylic acid,n-caprylic acid,octoic acid,n-octylic acid,n-octoic acid,neo-fat 8,1-heptanecarboxylic acid,enantic acid PubChem CID: 379 ChEBI: CHEBI:28837 IUPAC Name: octanoic acid SMILES: CCCCCCCC(=O)O

Pricing and Availability
Specifications

PubChem CID	379
CAS	124-07-2
Molecular Weight (g/mol)	144.214
ChEBI	CHEBI:28837
MDL Number	MFCD00004429
SMILES	CCCCCCCC(=O)O
Synonym	caprylic acid,n-octanoic acid,octylic acid,n-caprylic acid,octoic acid,n-octylic acid,n-octoic acid,neo-fat 8,1-heptanecarboxylic acid,enantic acid
IUPAC Name	octanoic acid
InChI Key	WWZKQHOCKIZLMA-UHFFFAOYSA-N
Molecular Formula	C8H16O2

Dodecanoic acid, 98%

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

Pricing and Availability
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

Fatty acid conjugates

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