Fatty acid esters

Fatty acid esters
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Methyl octanoate, 98+%
CAS: 111-11-5 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.241 MDL Number: MFCD00009551 InChI Key: JGHZJRVDZXSNKQ-UHFFFAOYSA-N Synonym: methyl caprylate,caprylic acid methyl ester,methyl n-octanoate,octanoic acid, methyl ester,uniphat a20,octanoic acid methyl ester,methyl octylate,methyl caprylate natural,unii-7mo740x6ql,fema no. 2728 PubChem CID: 8091 ChEBI: CHEBI:87432 IUPAC Name: methyl octanoate SMILES: CCCCCCCC(=O)OC
PubChem CID | 8091 |
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CAS | 111-11-5 |
Molecular Weight (g/mol) | 158.241 |
ChEBI | CHEBI:87432 |
MDL Number | MFCD00009551 |
SMILES | CCCCCCCC(=O)OC |
Synonym | methyl caprylate,caprylic acid methyl ester,methyl n-octanoate,octanoic acid, methyl ester,uniphat a20,octanoic acid methyl ester,methyl octylate,methyl caprylate natural,unii-7mo740x6ql,fema no. 2728 |
IUPAC Name | methyl octanoate |
InChI Key | JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
Molecular Formula | C9H18O2 |
TraceCERTâ„¢ Methyl Palmitate, Certified Reference Material, MilliporeSigmaâ„¢ Supelcoâ„¢
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.
Dimethyl glutarate, 98%
CAS: 1119-40-0 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00008468 InChI Key: XTDYIOOONNVFMA-UHFFFAOYSA-N Synonym: dimethyl glutarate,glutaric acid dimethyl ester,pentanedioic acid, dimethyl ester,methyl glutarate,glutaric acid, dimethyl ester,dbe 5,unii-1i9vfa346p,pentanedioic acid, 1,5-dimethyl ester,1,5-dimethyl pentanedioate,pentanedioic acid dimethyl ester PubChem CID: 14242 IUPAC Name: dimethyl pentanedioate SMILES: COC(=O)CCCC(=O)OC
PubChem CID | 14242 |
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CAS | 1119-40-0 |
Molecular Weight (g/mol) | 160.17 |
MDL Number | MFCD00008468 |
SMILES | COC(=O)CCCC(=O)OC |
Synonym | dimethyl glutarate,glutaric acid dimethyl ester,pentanedioic acid, dimethyl ester,methyl glutarate,glutaric acid, dimethyl ester,dbe 5,unii-1i9vfa346p,pentanedioic acid, 1,5-dimethyl ester,1,5-dimethyl pentanedioate,pentanedioic acid dimethyl ester |
IUPAC Name | dimethyl pentanedioate |
InChI Key | XTDYIOOONNVFMA-UHFFFAOYSA-N |
Molecular Formula | C7H12O4 |
Dimethyl succinate, 98%
CAS: 106-65-0 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.142 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
PubChem CID | 7820 |
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CAS | 106-65-0 |
Molecular Weight (g/mol) | 146.142 |
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 stearate, 99%
CAS: 112-61-8 Molecular Formula: C19H38O2 Molecular Weight (g/mol): 298.511 MDL Number: MFCD00009005 InChI Key: HPEUJPJOZXNMSJ-UHFFFAOYSA-N Synonym: methyl stearate,octadecanoic acid, methyl ester,stearic acid methyl ester,metholene 2218,kemester 9718,methyl n-octadecanoate,stearic acid, methyl ester,kemester 9018,emery 2218,n-octadecanoic acid methyl ester PubChem CID: 8201 ChEBI: CHEBI:69188 IUPAC Name: methyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OC
PubChem CID | 8201 |
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CAS | 112-61-8 |
Molecular Weight (g/mol) | 298.511 |
ChEBI | CHEBI:69188 |
MDL Number | MFCD00009005 |
SMILES | CCCCCCCCCCCCCCCCCC(=O)OC |
Synonym | methyl stearate,octadecanoic acid, methyl ester,stearic acid methyl ester,metholene 2218,kemester 9718,methyl n-octadecanoate,stearic acid, methyl ester,kemester 9018,emery 2218,n-octadecanoic acid methyl ester |
IUPAC Name | methyl octadecanoate |
InChI Key | HPEUJPJOZXNMSJ-UHFFFAOYSA-N |
Molecular Formula | C19H38O2 |
Methyl hexanoate, 99%
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
PubChem CID | 7824 |
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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 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
PubChem CID | 554086 |
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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 |
Dimethyl suberate, 99%
CAS: 1732-09-8 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00008471 InChI Key: LNLCRJXCNQABMV-UHFFFAOYSA-N Synonym: dimethyl suberate,octanedioic acid, dimethyl ester,suberic acid, dimethyl ester,octanedioic acid dimethyl ester,suberic acid dimethyl ester,octanedioic acid dimethyl,1,8-dimethyl octanedioate,octanedioic acid, 1,8-dimethyl ester,dimethyl octane-1,8-dioate PubChem CID: 15611 ChEBI: CHEBI:81345 IUPAC Name: dimethyl octanedioate SMILES: COC(=O)CCCCCCC(=O)OC
PubChem CID | 15611 |
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CAS | 1732-09-8 |
Molecular Weight (g/mol) | 202.25 |
ChEBI | CHEBI:81345 |
MDL Number | MFCD00008471 |
SMILES | COC(=O)CCCCCCC(=O)OC |
Synonym | dimethyl suberate,octanedioic acid, dimethyl ester,suberic acid, dimethyl ester,octanedioic acid dimethyl ester,suberic acid dimethyl ester,octanedioic acid dimethyl,1,8-dimethyl octanedioate,octanedioic acid, 1,8-dimethyl ester,dimethyl octane-1,8-dioate |
IUPAC Name | dimethyl octanedioate |
InChI Key | LNLCRJXCNQABMV-UHFFFAOYSA-N |
Molecular Formula | C10H18O4 |
Methyl oleate, 96%
CAS: 112-62-9 Molecular Formula: C19H36O2 Molecular Weight (g/mol): 296.495 MDL Number: MFCD00009578 InChI Key: QYDYPVFESGNLHU-KHPPLWFESA-N Synonym: methyl oleate,oleic acid methyl ester,methyl cis-9-octadecenoate,oleic acid, methyl ester,edenor metio5,methyl z-9-octadecenoate,methyl-cis-oleate,exceparl m-ol,emery, oleic acid ester,esterol 112 PubChem CID: 5364509 ChEBI: CHEBI:27542 IUPAC Name: methyl (Z)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC
PubChem CID | 5364509 |
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CAS | 112-62-9 |
Molecular Weight (g/mol) | 296.495 |
ChEBI | CHEBI:27542 |
MDL Number | MFCD00009578 |
SMILES | CCCCCCCCC=CCCCCCCCC(=O)OC |
Synonym | methyl oleate,oleic acid methyl ester,methyl cis-9-octadecenoate,oleic acid, methyl ester,edenor metio5,methyl z-9-octadecenoate,methyl-cis-oleate,exceparl m-ol,emery, oleic acid ester,esterol 112 |
IUPAC Name | methyl (Z)-octadec-9-enoate |
InChI Key | QYDYPVFESGNLHU-KHPPLWFESA-N |
Molecular Formula | C19H36O2 |
Methyl propionylacetate, 99%
CAS: 30414-53-0 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00011705 InChI Key: XJMIXEAZMCTAGH-UHFFFAOYSA-N Synonym: methyl 3-oxovalerate,methyl propionylacetate,methyl 3-oxo-pentanoate,pentanoic acid, 3-oxo-, methyl ester,methyl-3-oxo pentanoate,methyl 3-oxo-n-valerate,valeric acid, 3-oxo-, methyl ester,3-oxovaleric acid methyl ester,3-oxo-pentanoic acid methyl ester,3-keto-n-valeric acid methyl ester PubChem CID: 121699 IUPAC Name: methyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OC
PubChem CID | 121699 |
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CAS | 30414-53-0 |
Molecular Weight (g/mol) | 130.14 |
MDL Number | MFCD00011705 |
SMILES | CCC(=O)CC(=O)OC |
Synonym | methyl 3-oxovalerate,methyl propionylacetate,methyl 3-oxo-pentanoate,pentanoic acid, 3-oxo-, methyl ester,methyl-3-oxo pentanoate,methyl 3-oxo-n-valerate,valeric acid, 3-oxo-, methyl ester,3-oxovaleric acid methyl ester,3-oxo-pentanoic acid methyl ester,3-keto-n-valeric acid methyl ester |
IUPAC Name | methyl 3-oxopentanoate |
InChI Key | XJMIXEAZMCTAGH-UHFFFAOYSA-N |
Molecular Formula | C6H10O3 |
Methyl 5-chloro-5-oxovalerate, 97%
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
PubChem CID | 73916 |
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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 4,4-dimethyl-3-oxovalerate, 95%
CAS: 55107-14-7 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008847 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
PubChem CID | 99597 |
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CAS | 55107-14-7 |
Molecular Weight (g/mol) | 158.197 |
MDL Number | MFCD00008847 |
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 isovalerate, 98%
CAS: 556-24-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00042866 InChI Key: OQAGVSWESNCJJT-UHFFFAOYSA-N Synonym: methyl isovalerate,methyl isopentanoate,methyl 3-methylbutyrate,isovaleric acid, methyl ester,butanoic acid, 3-methyl-, methyl ester,methyl isovalerianate,methylisovalerate,isovaleric acid methyl ester,methyl isovalerate natural,fema no. 2753 PubChem CID: 11160 IUPAC Name: methyl 3-methylbutanoate SMILES: CC(C)CC(=O)OC
PubChem CID | 11160 |
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CAS | 556-24-1 |
Molecular Weight (g/mol) | 116.16 |
MDL Number | MFCD00042866 |
SMILES | CC(C)CC(=O)OC |
Synonym | methyl isovalerate,methyl isopentanoate,methyl 3-methylbutyrate,isovaleric acid, methyl ester,butanoic acid, 3-methyl-, methyl ester,methyl isovalerianate,methylisovalerate,isovaleric acid methyl ester,methyl isovalerate natural,fema no. 2753 |
IUPAC Name | methyl 3-methylbutanoate |
InChI Key | OQAGVSWESNCJJT-UHFFFAOYSA-N |
Molecular Formula | C6H12O2 |
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
PubChem CID | 550266 |
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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 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
PubChem CID | 69240 |
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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 |