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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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

Dimethyl itaconate, 97%

CAS: 617-52-7 Molecular Formula: C7H10O4 Molecular Weight (g/mol): 158.15 MDL Number: MFCD00008446 InChI Key: ZWWQRMFIZFPUAA-UHFFFAOYSA-N Synonym: dimethyl itaconate,dimethyl 2-methylenesuccinate,dimethylitaconate,itaconic acid dimethyl ester,itaconic acid, dimethyl ester,butanedioic acid, methylene-, dimethyl ester,1,4-dimethyl 2-methylidenebutanedioate,dimethyl methylenesuccinate,unii-11jib0yi93,succinic acid, methylene-, dimethyl ester PubChem CID: 69240 IUPAC Name: dimethyl 2-methylidenebutanedioate SMILES: COC(=O)CC(=C)C(=O)OC

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Specifications

PubChem CID	69240
CAS	617-52-7
Molecular Weight (g/mol)	158.15
MDL Number	MFCD00008446
SMILES	COC(=O)CC(=C)C(=O)OC
Synonym	dimethyl itaconate,dimethyl 2-methylenesuccinate,dimethylitaconate,itaconic acid dimethyl ester,itaconic acid, dimethyl ester,butanedioic acid, methylene-, dimethyl ester,1,4-dimethyl 2-methylidenebutanedioate,dimethyl methylenesuccinate,unii-11jib0yi93,succinic acid, methylene-, dimethyl ester
IUPAC Name	dimethyl 2-methylidenebutanedioate
InChI Key	ZWWQRMFIZFPUAA-UHFFFAOYSA-N
Molecular Formula	C7H10O4

Methyl linoleate, 95%

CAS: 112-63-0 Molecular Formula: C19H34O2 Molecular Weight (g/mol): 294.479 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)	294.479
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 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

Methyl 4-bromobutyrate, 98+%

CAS: 4897-84-1 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.03 MDL Number: MFCD00041482 InChI Key: QAWFLJGZSZIZHO-UHFFFAOYSA-N Synonym: methyl 4-bromobutyrate,4-bromobutyric acid methyl ester,methyl-4-bromobutyrate,butanoic acid, 4-bromo-, methyl ester,methyl4-bromobutyrate,butyric acid, 4-bromo-, methyl ester,methyl gamma-bromobutyrate,acmc-1amn9,4-brombutyric acid methyl ester,4-bromobutyric acid methyl-ester PubChem CID: 107604 IUPAC Name: methyl 4-bromobutanoate SMILES: COC(=O)CCCBr

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Specifications

PubChem CID	107604
CAS	4897-84-1
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00041482
SMILES	COC(=O)CCCBr
Synonym	methyl 4-bromobutyrate,4-bromobutyric acid methyl ester,methyl-4-bromobutyrate,butanoic acid, 4-bromo-, methyl ester,methyl4-bromobutyrate,butyric acid, 4-bromo-, methyl ester,methyl gamma-bromobutyrate,acmc-1amn9,4-brombutyric acid methyl ester,4-bromobutyric acid methyl-ester
IUPAC Name	methyl 4-bromobutanoate
InChI Key	QAWFLJGZSZIZHO-UHFFFAOYSA-N
Molecular Formula	C5H9BrO2

Dimethyl succinate, 99%

CAS: 106-65-0 Molecular Formula: C₆H₁₀O₄ Molecular Weight (g/mol): 146.14 MDL Number: MFCD00008466 InChI Key: MUXOBHXGJLMRAB-UHFFFAOYSA-N Synonym: dimethyl succinate,methyl succinate,dimethylsuccinate,butanedioic acid, dimethyl ester,succinic acid, dimethyl ester,dbe-4 dibasic ester,methyl butanedioate,succinic acid dimethyl ester,butanedioic acid, 1,4-dimethyl ester,fema no. 2396 PubChem CID: 7820 IUPAC Name: dimethyl butanedioate SMILES: COC(=O)CCC(=O)OC

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Specifications

PubChem CID	7820
CAS	106-65-0
Molecular Weight (g/mol)	146.14
MDL Number	MFCD00008466
SMILES	COC(=O)CCC(=O)OC
Synonym	dimethyl succinate,methyl succinate,dimethylsuccinate,butanedioic acid, dimethyl ester,succinic acid, dimethyl ester,dbe-4 dibasic ester,methyl butanedioate,succinic acid dimethyl ester,butanedioic acid, 1,4-dimethyl ester,fema no. 2396
IUPAC Name	dimethyl butanedioate
InChI Key	MUXOBHXGJLMRAB-UHFFFAOYSA-N
Molecular Formula	C₆H₁₀O₄

Methyl 3-hexenoate, 95+%, predominantly trans, Thermo Scientific™

CAS: 2396-78-3 Molecular Formula: C₇H₁₂O₂ Molecular Weight (g/mol): 128.17 MDL Number: MFCD00672771 InChI Key: XEAIHUDTEINXFG-SNAWJCMRSA-N Synonym: 3-hexenoic acid, methyl ester,methyl 3-hexenoate,methyl trans-3-hexenoate,methyl e-hex-3-enoate,honeyflor,3-hexenoic acid, methyl ester, e,unii-7ip0t834pb,methyl hex-3-enoate,methyl e-3-hexenoate,methyl trans 3 hexenoate PubChem CID: 5362782 IUPAC Name: methyl (E)-hex-3-enoate SMILES: CCC=CCC(=O)OC

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Specifications

PubChem CID	5362782
CAS	2396-78-3
Molecular Weight (g/mol)	128.17
MDL Number	MFCD00672771
SMILES	CCC=CCC(=O)OC
Synonym	3-hexenoic acid, methyl ester,methyl 3-hexenoate,methyl trans-3-hexenoate,methyl e-hex-3-enoate,honeyflor,3-hexenoic acid, methyl ester, e,unii-7ip0t834pb,methyl hex-3-enoate,methyl e-3-hexenoate,methyl trans 3 hexenoate
IUPAC Name	methyl (E)-hex-3-enoate
InChI Key	XEAIHUDTEINXFG-SNAWJCMRSA-N
Molecular Formula	C₇H₁₂O₂

Methyl isobutyrylacetate, 97+%

CAS: 42558-54-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00040499 InChI Key: HNNFDXWDCFCVDM-UHFFFAOYSA-N Synonym: methyl isobutyrylacetate,methyl 4-methyl-3-oxovalerate,4-methyl-3-oxovaleric acid methyl ester,iso-butyryl methyl acetate,methyl 4-methyl-3-oxo-pentanoate,methylisobutyrylacetate,acmc-209jq9,ksc237g2d,methyl 4-methyl-3oxopentanoate,methyl4-methyl-3-oxopentanoate PubChem CID: 2759969 IUPAC Name: methyl 4-methyl-3-oxopentanoate SMILES: CC(C)C(=O)CC(=O)OC

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Specifications

PubChem CID	2759969
CAS	42558-54-3
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00040499
SMILES	CC(C)C(=O)CC(=O)OC
Synonym	methyl isobutyrylacetate,methyl 4-methyl-3-oxovalerate,4-methyl-3-oxovaleric acid methyl ester,iso-butyryl methyl acetate,methyl 4-methyl-3-oxo-pentanoate,methylisobutyrylacetate,acmc-209jq9,ksc237g2d,methyl 4-methyl-3oxopentanoate,methyl4-methyl-3-oxopentanoate
IUPAC Name	methyl 4-methyl-3-oxopentanoate
InChI Key	HNNFDXWDCFCVDM-UHFFFAOYSA-N
Molecular Formula	C7H12O3

Methyl nonanoate, 95%

CAS: 1731-84-6 Molecular Formula: C₁₀H₂₀O₂ Molecular Weight (g/mol): 172.27 MDL Number: MFCD00009569 InChI Key: IJXHLVMUNBOGRR-UHFFFAOYSA-N Synonym: methyl pelargonate,pelargonic acid methyl ester,methyl nonylate,nonanoic acid, methyl ester,methyl n-nonanoate,nonanoic acid methyl ester,unii-7xkd6qoh68,fema no. 2724,methyl ester nonanoic acid,7xkd6qoh68 PubChem CID: 15606 ChEBI: CHEBI:44499 IUPAC Name: methyl nonanoate SMILES: CCCCCCCCC(=O)OC

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Specifications

PubChem CID	15606
CAS	1731-84-6
Molecular Weight (g/mol)	172.27
ChEBI	CHEBI:44499
MDL Number	MFCD00009569
SMILES	CCCCCCCCC(=O)OC
Synonym	methyl pelargonate,pelargonic acid methyl ester,methyl nonylate,nonanoic acid, methyl ester,methyl n-nonanoate,nonanoic acid methyl ester,unii-7xkd6qoh68,fema no. 2724,methyl ester nonanoic acid,7xkd6qoh68
IUPAC Name	methyl nonanoate
InChI Key	IJXHLVMUNBOGRR-UHFFFAOYSA-N
Molecular Formula	C₁₀H₂₀O₂

Methyl valerate, 99%

CAS: 624-24-8 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009478 InChI Key: HNBDRPTVWVGKBR-UHFFFAOYSA-N Synonym: methyl valerate,pentanoic acid, methyl ester,methyl n-valerate,methyl valerianate,valeric acid, methyl ester,valeric acid methyl ester,unii-zw21jjj9vn,pentanoic acid methyl ester,fema no. 2752,zw21jjj9vn PubChem CID: 12206 IUPAC Name: methyl pentanoate SMILES: CCCCC(=O)OC

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Specifications

PubChem CID	12206
CAS	624-24-8
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00009478
SMILES	CCCCC(=O)OC
Synonym	methyl valerate,pentanoic acid, methyl ester,methyl n-valerate,methyl valerianate,valeric acid, methyl ester,valeric acid methyl ester,unii-zw21jjj9vn,pentanoic acid methyl ester,fema no. 2752,zw21jjj9vn
IUPAC Name	methyl pentanoate
InChI Key	HNBDRPTVWVGKBR-UHFFFAOYSA-N
Molecular Formula	C6H12O2

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 acetoacetate, 99%

CAS: 105-45-3 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00008784 InChI Key: WRQNANDWMGAFTP-UHFFFAOYSA-N Synonym: methyl acetoacetate,acetoacetic acid methyl ester,methylacetoacetate,methyl 3-oxobutyrate,butanoic acid, 3-oxo-, methyl ester,methyl acetylacetate,methyl acetylacetonate,3-oxobutanoic acid methyl ester,acetoacetic methyl ester,acetoacetic acid, methyl ester PubChem CID: 7757 IUPAC Name: methyl 3-oxobutanoate SMILES: COC(=O)CC(C)=O

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Specifications

PubChem CID	7757
CAS	105-45-3
Molecular Weight (g/mol)	116.12
MDL Number	MFCD00008784
SMILES	COC(=O)CC(C)=O
Synonym	methyl acetoacetate,acetoacetic acid methyl ester,methylacetoacetate,methyl 3-oxobutyrate,butanoic acid, 3-oxo-, methyl ester,methyl acetylacetate,methyl acetylacetonate,3-oxobutanoic acid methyl ester,acetoacetic methyl ester,acetoacetic acid, methyl ester
IUPAC Name	methyl 3-oxobutanoate
InChI Key	WRQNANDWMGAFTP-UHFFFAOYSA-N
Molecular Formula	C5H8O3

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 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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Specifications

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

Methyl 4-chlorobutyrate, 98%

CAS: 3153-37-5 Molecular Formula: C5H9ClO2 Molecular Weight (g/mol): 136.575 MDL Number: MFCD00001003 InChI Key: ZZUYIRISBMWFMV-UHFFFAOYSA-N Synonym: methyl 4-chlorobutyrate,butanoic acid, 4-chloro-, methyl ester,4-chlorobutyric acid methyl ester,butyric acid, 4-chloro-, methyl ester,methyl .omega.-chlorobutyrate,4-chlorobutanoic acid methyl ester,.gamma.-chlorobutyric acid methyl ester,methyl-4-chlorbutanoat,gamma-chlorobutyric acid methyl ester,methyl omega-chlorobutyrate PubChem CID: 76612 IUPAC Name: methyl 4-chlorobutanoate SMILES: COC(=O)CCCCl

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Specifications

PubChem CID	76612
CAS	3153-37-5
Molecular Weight (g/mol)	136.575
MDL Number	MFCD00001003
SMILES	COC(=O)CCCCl
Synonym	methyl 4-chlorobutyrate,butanoic acid, 4-chloro-, methyl ester,4-chlorobutyric acid methyl ester,butyric acid, 4-chloro-, methyl ester,methyl .omega.-chlorobutyrate,4-chlorobutanoic acid methyl ester,.gamma.-chlorobutyric acid methyl ester,methyl-4-chlorbutanoat,gamma-chlorobutyric acid methyl ester,methyl omega-chlorobutyrate
IUPAC Name	methyl 4-chlorobutanoate
InChI Key	ZZUYIRISBMWFMV-UHFFFAOYSA-N
Molecular Formula	C5H9ClO2

Fatty acid esters

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