Fatty acid esters

The combination of a fatty acid with an alcohol; when the alcohol component is glycerol, the fatty acid esters produced can be monoglycerides, diglycerides, or triglycerides.

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TraceCERT™ Methyl Palmitate, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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Methyl 4,4,4-trifluoroacetoacetate, 95%

CAS: 83643-84-9 Molecular Formula: C5H5F3O3 Molecular Weight (g/mol): 170.087 MDL Number: MFCD00041004 InChI Key: LKMUBWWZTSZGGV-UHFFFAOYSA-N PubChem CID: 550266 IUPAC Name: methyl 4,4,4-trifluoro-3-oxobutanoate SMILES: COC(=O)CC(=O)C(F)(F)F

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Specifications

PubChem CID	550266
CAS	83643-84-9
Molecular Weight (g/mol)	170.087
MDL Number	MFCD00041004
SMILES	COC(=O)CC(=O)C(F)(F)F
IUPAC Name	methyl 4,4,4-trifluoro-3-oxobutanoate
InChI Key	LKMUBWWZTSZGGV-UHFFFAOYSA-N
Molecular Formula	C5H5F3O3

Dimethyl sebacate, 97%

CAS: 106-79-6 Molecular Formula: C12H22O4 Molecular Weight (g/mol): 230.304 MDL Number: MFCD00008472 InChI Key: ALOUNLDAKADEEB-UHFFFAOYSA-N Synonym: dimethyl sebacate,methyl sebacate,decanedioic acid, dimethyl ester,sebacic acid dimethyl ester,sebacic acid, dimethyl ester,dimethyl octane-1,8-dicarboxylate,1,10-dimethyl decanedioate,decanedioic acid dimethyl ester,decanedioic acid, 1,10-dimethyl ester,dimethyl decane-1,10-dioate PubChem CID: 7829 IUPAC Name: dimethyl decanedioate SMILES: COC(=O)CCCCCCCCC(=O)OC

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PubChem CID	7829
CAS	106-79-6
Molecular Weight (g/mol)	230.304
MDL Number	MFCD00008472
SMILES	COC(=O)CCCCCCCCC(=O)OC
Synonym	dimethyl sebacate,methyl sebacate,decanedioic acid, dimethyl ester,sebacic acid dimethyl ester,sebacic acid, dimethyl ester,dimethyl octane-1,8-dicarboxylate,1,10-dimethyl decanedioate,decanedioic acid dimethyl ester,decanedioic acid, 1,10-dimethyl ester,dimethyl decane-1,10-dioate
IUPAC Name	dimethyl decanedioate
InChI Key	ALOUNLDAKADEEB-UHFFFAOYSA-N
Molecular Formula	C12H22O4

Methyl dodecanoate, 99%

CAS: 111-82-0 Molecular Formula: C13H26O2 Molecular Weight (g/mol): 214.349 MDL Number: MFCD00008966 InChI Key: UQDUPQYQJKYHQI-UHFFFAOYSA-N Synonym: methyl laurate,lauric acid methyl ester,dodecanoic acid, methyl ester,methyl laurinate,methyl dodecylate,methyl n-dodecanoate,uniphat a40,metholene 2296,lauric acid, methyl ester,stepan c40 PubChem CID: 8139 ChEBI: CHEBI:87494 IUPAC Name: methyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OC

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PubChem CID	8139
CAS	111-82-0
Molecular Weight (g/mol)	214.349
ChEBI	CHEBI:87494
MDL Number	MFCD00008966
SMILES	CCCCCCCCCCCC(=O)OC
Synonym	methyl laurate,lauric acid methyl ester,dodecanoic acid, methyl ester,methyl laurinate,methyl dodecylate,methyl n-dodecanoate,uniphat a40,metholene 2296,lauric acid, methyl ester,stepan c40
IUPAC Name	methyl dodecanoate
InChI Key	UQDUPQYQJKYHQI-UHFFFAOYSA-N
Molecular Formula	C13H26O2

Dimethyl pimelate, 98+%

CAS: 1732-08-7 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00008470 InChI Key: SHWINQXIGSEZAP-UHFFFAOYSA-N Synonym: dimethyl pimelate,heptanedioic acid, dimethyl ester,pimelic acid dimethyl ester,pimelic acid, dimethyl ester,dimethyl 1,7-heptanedioate,1,7-dimethyl heptanedioate,heptanedioic acid, 1,7-dimethyl ester,unii-ge1pf3049f,heptanedioic acid dimethyl ester,1ov5vo1 PubChem CID: 74416 IUPAC Name: dimethyl heptanedioate SMILES: COC(=O)CCCCCC(=O)OC

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Specifications

PubChem CID	74416
CAS	1732-08-7
Molecular Weight (g/mol)	188.22
MDL Number	MFCD00008470
SMILES	COC(=O)CCCCCC(=O)OC
Synonym	dimethyl pimelate,heptanedioic acid, dimethyl ester,pimelic acid dimethyl ester,pimelic acid, dimethyl ester,dimethyl 1,7-heptanedioate,1,7-dimethyl heptanedioate,heptanedioic acid, 1,7-dimethyl ester,unii-ge1pf3049f,heptanedioic acid dimethyl ester,1ov5vo1
IUPAC Name	dimethyl heptanedioate
InChI Key	SHWINQXIGSEZAP-UHFFFAOYSA-N
Molecular Formula	C9H16O4

Methyl hexanoate, 99%, analytical standard for GC

CAS: 106-70-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009510 InChI Key: NUKZAGXMHTUAFE-UHFFFAOYSA-N Synonym: methyl caproate,hexanoic acid methyl ester,hexanoic acid, methyl ester,methyl hexoate,methyl capronate,methyl n-hexanoate,methyl hexylate,caproic acid methyl ester,methyl caproate natural,methyl n-hexoate PubChem CID: 7824 ChEBI: CHEBI:77322 IUPAC Name: methyl hexanoate SMILES: CCCCCC(=O)OC

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Specifications

PubChem CID	7824
CAS	106-70-7
Molecular Weight (g/mol)	130.19
ChEBI	CHEBI:77322
MDL Number	MFCD00009510
SMILES	CCCCCC(=O)OC
Synonym	methyl caproate,hexanoic acid methyl ester,hexanoic acid, methyl ester,methyl hexoate,methyl capronate,methyl n-hexanoate,methyl hexylate,caproic acid methyl ester,methyl caproate natural,methyl n-hexoate
IUPAC Name	methyl hexanoate
InChI Key	NUKZAGXMHTUAFE-UHFFFAOYSA-N
Molecular Formula	C7H14O2

Methyl 4-(chloroformyl)butyrate, 98%

CAS: 1501-26-4 Molecular Formula: C6H9ClO3 Molecular Weight (g/mol): 164.59 MDL Number: MFCD00000756 InChI Key: JCAZSWWHFJVFPP-UHFFFAOYSA-N Synonym: methyl 4-chloroformyl butyrate,methyl 5-chloro-5-oxovalerate,methyl 4-chloroformylbutyrate,methyl5-chloro-5-oxopentanoate,5-chloro-5-oxopentanoic acid methyl ester,methyl glutaryl chloride,pentanoic acid, 5-chloro-5-oxo-, methyl ester,4-chlorocarbonyl-butyric acid methyl ester,zlchem 559,pubchem14033 PubChem CID: 73916 IUPAC Name: methyl 5-chloro-5-oxopentanoate SMILES: COC(=O)CCCC(Cl)=O

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Specifications

PubChem CID	73916
CAS	1501-26-4
Molecular Weight (g/mol)	164.59
MDL Number	MFCD00000756
SMILES	COC(=O)CCCC(Cl)=O
Synonym	methyl 4-chloroformyl butyrate,methyl 5-chloro-5-oxovalerate,methyl 4-chloroformylbutyrate,methyl5-chloro-5-oxopentanoate,5-chloro-5-oxopentanoic acid methyl ester,methyl glutaryl chloride,pentanoic acid, 5-chloro-5-oxo-, methyl ester,4-chlorocarbonyl-butyric acid methyl ester,zlchem 559,pubchem14033
IUPAC Name	methyl 5-chloro-5-oxopentanoate
InChI Key	JCAZSWWHFJVFPP-UHFFFAOYSA-N
Molecular Formula	C6H9ClO3

Methyl 7-bromoheptanoate, 98%

CAS: 54049-24-0 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD02258672 InChI Key: BXRLUWIDTDLHQE-UHFFFAOYSA-N Synonym: methyl-7-bromoheptanoate,7-bromoheptanoic acid methyl ester,heptanoic acid, 7-bromo-, methyl ester,acmc-1aya7,13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-1h-cyclopenta a phenanthren-3-one PubChem CID: 554086 IUPAC Name: methyl 7-bromoheptanoate SMILES: COC(=O)CCCCCCBr

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Specifications

PubChem CID	554086
CAS	54049-24-0
Molecular Weight (g/mol)	223.11
MDL Number	MFCD02258672
SMILES	COC(=O)CCCCCCBr
Synonym	methyl-7-bromoheptanoate,7-bromoheptanoic acid methyl ester,heptanoic acid, 7-bromo-, methyl ester,acmc-1aya7,13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,13,14,15,16,17-dodecahydro-1h-cyclopenta a phenanthren-3-one
IUPAC Name	methyl 7-bromoheptanoate
InChI Key	BXRLUWIDTDLHQE-UHFFFAOYSA-N
Molecular Formula	C8H15BrO2

Methyl linoleate, 99%

CAS: 112-63-0 Molecular Formula: C₁₉H₃₄O₂ Molecular Weight (g/mol): 294.48 MDL Number: MFCD00009534 InChI Key: WTTJVINHCBCLGX-NQLNTKRDSA-N Synonym: methyl linoleate,linoleic acid methyl ester,methyl lineoleate,methyl 9z,12z-octadeca-9,12-dienoate,methyl octadecadienoate,methyl 9-cis,12-cis-octadecadienoate,linoleic acid,methyl ester,linoleic acid, methyl ester,methyl linoleate, native,9,12-octadecadienoic acid z,z-, methyl ester PubChem CID: 5284421 ChEBI: CHEBI:69080 IUPAC Name: methyl (9Z,12Z)-octadeca-9,12-dienoate SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC

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Specifications

PubChem CID	5284421
CAS	112-63-0
Molecular Weight (g/mol)	294.48
ChEBI	CHEBI:69080
MDL Number	MFCD00009534
SMILES	CCCCCC=CCC=CCCCCCCCC(=O)OC
Synonym	methyl linoleate,linoleic acid methyl ester,methyl lineoleate,methyl 9z,12z-octadeca-9,12-dienoate,methyl octadecadienoate,methyl 9-cis,12-cis-octadecadienoate,linoleic acid,methyl ester,linoleic acid, methyl ester,methyl linoleate, native,9,12-octadecadienoic acid z,z-, methyl ester
IUPAC Name	methyl (9Z,12Z)-octadeca-9,12-dienoate
InChI Key	WTTJVINHCBCLGX-NQLNTKRDSA-N
Molecular Formula	C₁₉H₃₄O₂

Methyl adipoyl chloride, 96%

CAS: 35444-44-1 Molecular Formula: C7H11ClO3 Molecular Weight (g/mol): 178.61 MDL Number: MFCD00013661 InChI Key: HDLGIEZOMYJKAK-UHFFFAOYSA-N Synonym: hexanedioic acid monochloride monomethyl ester,hexanoic acid, 6-chloro-6-oxo-, methyl ester,6-methoxy-6-oxohexanoyl chloride,methyl 5-chloroformyl pentanoate,5-chlorocarbonyl-pentanoic acid methyl ester,mono-methyl adipoyl chloride,5-carbomethoxyvaleryl chloride,methyl 6-chloro-6-oxocaproate,methyl adipoyl chloride PubChem CID: 520737 IUPAC Name: methyl 6-chloro-6-oxohexanoate SMILES: COC(=O)CCCCC(Cl)=O

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Specifications

PubChem CID	520737
CAS	35444-44-1
Molecular Weight (g/mol)	178.61
MDL Number	MFCD00013661
SMILES	COC(=O)CCCCC(Cl)=O
Synonym	hexanedioic acid monochloride monomethyl ester,hexanoic acid, 6-chloro-6-oxo-, methyl ester,6-methoxy-6-oxohexanoyl chloride,methyl 5-chloroformyl pentanoate,5-chlorocarbonyl-pentanoic acid methyl ester,mono-methyl adipoyl chloride,5-carbomethoxyvaleryl chloride,methyl 6-chloro-6-oxocaproate,methyl adipoyl chloride
IUPAC Name	methyl 6-chloro-6-oxohexanoate
InChI Key	HDLGIEZOMYJKAK-UHFFFAOYSA-N
Molecular Formula	C7H11ClO3

Methyl palmitoleate, 99%, analytical standard for GC

CAS: 1120-25-8 Molecular Formula: C17H32O2 Molecular Weight (g/mol): 268.44 MDL Number: MFCD00042911 InChI Key: IZFGRAGOVZCUFB-HJWRWDBZSA-N Synonym: methyl palmitoleate,z-methyl hexadec-9-enoate,methyl z-hexadec-9-enoate,methyl palmitoleinate,unii-35695qdb9f,methyl 9z-hexadec-9-enoate,9-hexadecenoic acid, methyl ester, z,methyl cis-9-hexadecenoate,methyl z-9-hexadecenoate,methyl cis-hexadec-9-enoate PubChem CID: 643801 ChEBI: CHEBI:84156 IUPAC Name: methyl (Z)-hexadec-9-enoate SMILES: CCCCCC\C=C/CCCCCCCC(=O)OC

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Specifications

PubChem CID	643801
CAS	1120-25-8
Molecular Weight (g/mol)	268.44
ChEBI	CHEBI:84156
MDL Number	MFCD00042911
SMILES	CCCCCC\C=C/CCCCCCCC(=O)OC
Synonym	methyl palmitoleate,z-methyl hexadec-9-enoate,methyl z-hexadec-9-enoate,methyl palmitoleinate,unii-35695qdb9f,methyl 9z-hexadec-9-enoate,9-hexadecenoic acid, methyl ester, z,methyl cis-9-hexadecenoate,methyl z-9-hexadecenoate,methyl cis-hexadec-9-enoate
IUPAC Name	methyl (Z)-hexadec-9-enoate
InChI Key	IZFGRAGOVZCUFB-HJWRWDBZSA-N
Molecular Formula	C17H32O2

Methyl 5-bromovalerate, 97%

CAS: 5454-83-1 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000265 InChI Key: RAVVJKCSZXAIQP-UHFFFAOYSA-N PubChem CID: 79557 IUPAC Name: methyl 5-bromopentanoate SMILES: COC(=O)CCCCBr

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Specifications

PubChem CID	79557
CAS	5454-83-1
Molecular Weight (g/mol)	195.06
MDL Number	MFCD00000265
SMILES	COC(=O)CCCCBr
IUPAC Name	methyl 5-bromopentanoate
InChI Key	RAVVJKCSZXAIQP-UHFFFAOYSA-N
Molecular Formula	C6H11BrO2

Dimethyl acetylsuccinate, 96%

CAS: 10420-33-4 Molecular Formula: C8H12O5 Molecular Weight (g/mol): 188.18 MDL Number: MFCD00008448 InChI Key: XREKLQOUFWBSFH-UHFFFAOYNA-N Synonym: dimethyl acetylsuccinate,dimethyl 2-acetylsuccinate,1,4-dimethyl 2-acetylbutanedioate,butanedioic acid, acetyl-, dimethyl ester,acetylsuccinic acid dimethyl ester,dmas,butanedioic acid, 2-acetyl-, 1,4-dimethyl ester,doimethyl acetylsuccinate,acmc-1bwle,dimethyl 2-acetylsuccite PubChem CID: 112039 IUPAC Name: dimethyl 2-acetylbutanedioate SMILES: COC(=O)CC(C(C)=O)C(=O)OC

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Specifications

PubChem CID	112039
CAS	10420-33-4
Molecular Weight (g/mol)	188.18
MDL Number	MFCD00008448
SMILES	COC(=O)CC(C(C)=O)C(=O)OC
Synonym	dimethyl acetylsuccinate,dimethyl 2-acetylsuccinate,1,4-dimethyl 2-acetylbutanedioate,butanedioic acid, acetyl-, dimethyl ester,acetylsuccinic acid dimethyl ester,dmas,butanedioic acid, 2-acetyl-, 1,4-dimethyl ester,doimethyl acetylsuccinate,acmc-1bwle,dimethyl 2-acetylsuccite
IUPAC Name	dimethyl 2-acetylbutanedioate
InChI Key	XREKLQOUFWBSFH-UHFFFAOYNA-N
Molecular Formula	C8H12O5

Methyl butyrate, 98+%

CAS: 623-42-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00009391 InChI Key: UUIQMZJEGPQKFD-UHFFFAOYSA-N Synonym: methyl butyrate,butanoic acid, methyl ester,methyl n-butyrate,butyric acid, methyl ester,methyl n-butanoate,butyric acid methyl ester,methyl-n-butyrate,n-butyric acid methyl ester,methyl butyrate natural,unii-cgx598508o PubChem CID: 12180 IUPAC Name: methyl butanoate SMILES: CCCC(=O)OC

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Specifications

PubChem CID	12180
CAS	623-42-7
Molecular Weight (g/mol)	102.13
MDL Number	MFCD00009391
SMILES	CCCC(=O)OC
Synonym	methyl butyrate,butanoic acid, methyl ester,methyl n-butyrate,butyric acid, methyl ester,methyl n-butanoate,butyric acid methyl ester,methyl-n-butyrate,n-butyric acid methyl ester,methyl butyrate natural,unii-cgx598508o
IUPAC Name	methyl butanoate
InChI Key	UUIQMZJEGPQKFD-UHFFFAOYSA-N
Molecular Formula	C5H10O2

Methyl pivaloylacetate, 98%

CAS: 55107-14-7 Molecular Formula: C₈H₁₄O₃ Molecular Weight (g/mol): 158.2 InChI Key: XTXCFTMJPRXBBC-UHFFFAOYSA-N Synonym: methyl pivaloylacetate,methyl 4,4-dimethyl-3-oxovalerate,methyl 4,4,4-trimethylacetoacetate,pentanoic acid, 4,4-dimethyl-3-oxo-, methyl ester,pivaloylacetic acid methyl ester,unii-99cq34ta4y,methyl 4,4,4-trimethyl-3-oxobutanoate,4,4-dimethyl-3-oxovaleric acid methyl ester,benzyl s---lactate,acmc-209ll2 PubChem CID: 99597 IUPAC Name: methyl 4,4-dimethyl-3-oxopentanoate SMILES: CC(C)(C)C(=O)CC(=O)OC

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Specifications

PubChem CID	99597
CAS	55107-14-7
Molecular Weight (g/mol)	158.2
SMILES	CC(C)(C)C(=O)CC(=O)OC
Synonym	methyl pivaloylacetate,methyl 4,4-dimethyl-3-oxovalerate,methyl 4,4,4-trimethylacetoacetate,pentanoic acid, 4,4-dimethyl-3-oxo-, methyl ester,pivaloylacetic acid methyl ester,unii-99cq34ta4y,methyl 4,4,4-trimethyl-3-oxobutanoate,4,4-dimethyl-3-oxovaleric acid methyl ester,benzyl s---lactate,acmc-209ll2
IUPAC Name	methyl 4,4-dimethyl-3-oxopentanoate
InChI Key	XTXCFTMJPRXBBC-UHFFFAOYSA-N
Molecular Formula	C₈H₁₄O₃

Fatty acid esters

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