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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Nickel(II) octanoate, in mineral spirits (8% Ni)

CAS: 4995-91-9 Molecular Formula: C8H16NiO2 Molecular Weight (g/mol): 202.907 MDL Number: MFCD00064239 InChI Key: ANYMYNDNCKURBB-UHFFFAOYSA-N Synonym: nickel dioctanoate,nickel 2+ caprylate,nickel octoate,caprylic acid, nickel ii salt,octanoic acid, nickel 2+ salt PubChem CID: 54611835 IUPAC Name: nickel;octanoic acid SMILES: CCCCCCCC(=O)O.[Ni]

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Specifications

PubChem CID	54611835
CAS	4995-91-9
Molecular Weight (g/mol)	202.907
MDL Number	MFCD00064239
SMILES	CCCCCCCC(=O)O.[Ni]
Synonym	nickel dioctanoate,nickel 2+ caprylate,nickel octoate,caprylic acid, nickel ii salt,octanoic acid, nickel 2+ salt
IUPAC Name	nickel;octanoic acid
InChI Key	ANYMYNDNCKURBB-UHFFFAOYSA-N
Molecular Formula	C8H16NiO2

2,3-Dibromobutyric acid, 97%

CAS: 600-30-6 Molecular Formula: C4H6Br2O2 Molecular Weight (g/mol): 245.898 MDL Number: MFCD00014334 InChI Key: HESQKTULJLBDRF-UHFFFAOYSA-N Synonym: 2,3-dibromobutyric acid,.alpha.,.beta.-dibromobutyric acid,2,3-dibromo-butyric acid,acmc-1atov,2,3 dibromobutyric acid,#,butanoic acid,2,3-dibromo,butanoic acid, 2,3-dibromo,alpha,beta-dibromo-n-butyric acid,.alpha.,.beta.-dibromo-n-butyric acid PubChem CID: 95386 IUPAC Name: 2,3-dibromobutanoic acid SMILES: CC(C(C(=O)O)Br)Br

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Specifications

PubChem CID	95386
CAS	600-30-6
Molecular Weight (g/mol)	245.898
MDL Number	MFCD00014334
SMILES	CC(C(C(=O)O)Br)Br
Synonym	2,3-dibromobutyric acid,.alpha.,.beta.-dibromobutyric acid,2,3-dibromo-butyric acid,acmc-1atov,2,3 dibromobutyric acid,#,butanoic acid,2,3-dibromo,butanoic acid, 2,3-dibromo,alpha,beta-dibromo-n-butyric acid,.alpha.,.beta.-dibromo-n-butyric acid
IUPAC Name	2,3-dibromobutanoic acid
InChI Key	HESQKTULJLBDRF-UHFFFAOYSA-N
Molecular Formula	C4H6Br2O2

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

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

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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

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

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]

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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

(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

Pricing and Availability
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

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

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

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

1,10-Decanedicarboxylic acid, 99%

CAS: 693-23-2 Molecular Formula: C₁₂H₂₂O₄ Molecular Weight (g/mol): 230.3 MDL Number: MFCD00002735 InChI Key: TVIDDXQYHWJXFK-UHFFFAOYSA-N Synonym: 1,12-dodecanedioic acid,1,10-decanedicarboxylic acid,decamethylenedicarboxylic acid,1,10-dicarboxydecane,n-dodecanedioic acid,unii-978yu42q6i,dsstox_cid_7297,dsstox_rid_78394,dsstox_gsid_27297,n-dodecanedioate PubChem CID: 12736 ChEBI: CHEBI:4676 IUPAC Name: dodecanedioic acid SMILES: C(CCCCCC(=O)O)CCCCC(=O)O

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Specifications

PubChem CID	12736
CAS	693-23-2
Molecular Weight (g/mol)	230.3
ChEBI	CHEBI:4676
MDL Number	MFCD00002735
SMILES	C(CCCCCC(=O)O)CCCCC(=O)O
Synonym	1,12-dodecanedioic acid,1,10-decanedicarboxylic acid,decamethylenedicarboxylic acid,1,10-dicarboxydecane,n-dodecanedioic acid,unii-978yu42q6i,dsstox_cid_7297,dsstox_rid_78394,dsstox_gsid_27297,n-dodecanedioate
IUPAC Name	dodecanedioic acid
InChI Key	TVIDDXQYHWJXFK-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₂O₄

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

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

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Specifications

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

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

Pricing and Availability
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

omega-Aminocaprylic acid, 99+%

CAS: 1002-57-9 Molecular Formula: C8H17NO2 Molecular Weight (g/mol): 159.23 MDL Number: MFCD00008245 InChI Key: UQXNEWQGGVUVQA-UHFFFAOYSA-N Synonym: 8-aminocaprylic acid,octanoic acid, 8-amino,omega-aminocaprylic acid,8-amino caprylic acid,8-amino-octanoic acid,.omega.-aminocaprylic acid,8-amino capylic acid,8ac,8-aminocapylic acid,pubchem13165 PubChem CID: 66085 IUPAC Name: 8-aminooctanoic acid SMILES: NCCCCCCCC(O)=O

Pricing and Availability
Specifications

PubChem CID	66085
CAS	1002-57-9
Molecular Weight (g/mol)	159.23
MDL Number	MFCD00008245
SMILES	NCCCCCCCC(O)=O
Synonym	8-aminocaprylic acid,octanoic acid, 8-amino,omega-aminocaprylic acid,8-amino caprylic acid,8-amino-octanoic acid,.omega.-aminocaprylic acid,8-amino capylic acid,8ac,8-aminocapylic acid,pubchem13165
IUPAC Name	8-aminooctanoic acid
InChI Key	UQXNEWQGGVUVQA-UHFFFAOYSA-N
Molecular Formula	C8H17NO2

Fatty acid conjugates

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