Lipids and Lipid Derivatives
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1-Triacontanol, 96%
CAS: 593-50-0 Molecular Formula: C30H62O Molecular Weight (g/mol): 438.82 MDL Number: MFCD00002963 InChI Key: REZQBEBOWJAQKS-UHFFFAOYSA-N Synonym: 1-triacontanol,triacontanol,melissyl alcohol,myricyl alcohol,n-triacontanol,triacontyl alcohol,triacontanol-1,miraculan,myricyl alcohol van,1-hydroxytriacontane PubChem CID: 68972 ChEBI: CHEBI:28409 IUPAC Name: triacontan-1-ol SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
| PubChem CID | 68972 |
|---|---|
| CAS | 593-50-0 |
| Molecular Weight (g/mol) | 438.82 |
| ChEBI | CHEBI:28409 |
| MDL Number | MFCD00002963 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Synonym | 1-triacontanol,triacontanol,melissyl alcohol,myricyl alcohol,n-triacontanol,triacontyl alcohol,triacontanol-1,miraculan,myricyl alcohol van,1-hydroxytriacontane |
| IUPAC Name | triacontan-1-ol |
| InChI Key | REZQBEBOWJAQKS-UHFFFAOYSA-N |
| Molecular Formula | C30H62O |
4-Pentenoic acid, 99%
CAS: 591-80-0 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00004408 InChI Key: HVAMZGADVCBITI-UHFFFAOYSA-N Synonym: 4-pentenoic acid,allylacetic acid,allyl acetic acid,4 pa,3-vinylpropionic acid,delta 4-pentenoic acid,unii-d4s77y29fb,fema no. 2843,.delta.4-pentenoic acid,wln: qv3u1 PubChem CID: 61138 ChEBI: CHEBI:35936 IUPAC Name: pent-4-enoic acid SMILES: OC(=O)CCC=C
| PubChem CID | 61138 |
|---|---|
| CAS | 591-80-0 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:35936 |
| MDL Number | MFCD00004408 |
| SMILES | OC(=O)CCC=C |
| Synonym | 4-pentenoic acid,allylacetic acid,allyl acetic acid,4 pa,3-vinylpropionic acid,delta 4-pentenoic acid,unii-d4s77y29fb,fema no. 2843,.delta.4-pentenoic acid,wln: qv3u1 |
| IUPAC Name | pent-4-enoic acid |
| InChI Key | HVAMZGADVCBITI-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Thermo Scientific Chemicals D-alpha-Tocopheryl acetate, 97%
CAS: 58-95-7 Molecular Formula: C31H52O3 Molecular Weight (g/mol): 472.75 MDL Number: MFCD00072042,MFCD00072052 InChI Key: ZAKOWWREFLAJOT-UHFFFAOYNA-N Synonym: vitamin e acetate,tocopherol acetate,alpha-tocopherol acetate,alfacol,ecofrol,d-alpha-tocopherol acetate,contopheron,tofaxin,ephynal acetate,econ PubChem CID: 86472 ChEBI: CHEBI:32321 IUPAC Name: 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl acetate SMILES: CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1
| PubChem CID | 86472 |
|---|---|
| CAS | 58-95-7 |
| Molecular Weight (g/mol) | 472.75 |
| ChEBI | CHEBI:32321 |
| MDL Number | MFCD00072042,MFCD00072052 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(OC(C)=O)=C(C)C(C)=C2O1 |
| Synonym | vitamin e acetate,tocopherol acetate,alpha-tocopherol acetate,alfacol,ecofrol,d-alpha-tocopherol acetate,contopheron,tofaxin,ephynal acetate,econ |
| IUPAC Name | 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl acetate |
| InChI Key | ZAKOWWREFLAJOT-UHFFFAOYNA-N |
| Molecular Formula | C31H52O3 |
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
| 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 |
L(-)-Perillaldehyde, 90%
CAS: 18031-40-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00001543 InChI Key: RUMOYJJNUMEFDD-SNVBAGLBSA-N Synonym: --perillaldehyde,s---perillaldehyde,s-4-prop-1-en-2-yl cyclohex-1-enecarbaldehyde,l-perillaldehyde,s-p-mentha-1,8-dien-7-al,unii-5el0y7p6lp,--perillaaldehyde,perillaldehyde,-,s-4-isopropenyl-1-cyclohexene-1-carboxaldehyde,1-cyclohexene-1-carboxaldehyde, 4-1-methylethenyl-, 4s PubChem CID: 2724159 ChEBI: CHEBI:86938 IUPAC Name: (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde SMILES: CC(=C)C1CCC(=CC1)C=O
| PubChem CID | 2724159 |
|---|---|
| CAS | 18031-40-8 |
| Molecular Weight (g/mol) | 150.22 |
| ChEBI | CHEBI:86938 |
| MDL Number | MFCD00001543 |
| SMILES | CC(=C)C1CCC(=CC1)C=O |
| Synonym | --perillaldehyde,s---perillaldehyde,s-4-prop-1-en-2-yl cyclohex-1-enecarbaldehyde,l-perillaldehyde,s-p-mentha-1,8-dien-7-al,unii-5el0y7p6lp,--perillaaldehyde,perillaldehyde,-,s-4-isopropenyl-1-cyclohexene-1-carboxaldehyde,1-cyclohexene-1-carboxaldehyde, 4-1-methylethenyl-, 4s |
| IUPAC Name | (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde |
| InChI Key | RUMOYJJNUMEFDD-SNVBAGLBSA-N |
| Molecular Formula | C10H14O |
Hexanoic acid, For synthesis, MilliporeSigma™
CAS: 142-62-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 InChI Key: FUZZWVXGSFPDMH-UHFFFAOYSA-N Synonym: caproic acid,capronic acid,n-hexanoic acid,n-caproic acid,butylacetic acid,hexoic acid,pentylformic acid,1-hexanoic acid,n-hexylic acid,n-hexoic acid PubChem CID: 8892 ChEBI: CHEBI:30776 IUPAC Name: hexanoic acid SMILES: CCCCCC(=O)O
| PubChem CID | 8892 |
|---|---|
| CAS | 142-62-1 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:30776 |
| SMILES | CCCCCC(=O)O |
| Synonym | caproic acid,capronic acid,n-hexanoic acid,n-caproic acid,butylacetic acid,hexoic acid,pentylformic acid,1-hexanoic acid,n-hexylic acid,n-hexoic acid |
| IUPAC Name | hexanoic acid |
| InChI Key | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
2-Fluoro-alpha-methyl-4-biphenylacetic acid, 99%
CAS: 5104-49-4 Molecular Formula: C15H13FO2 Molecular Weight (g/mol): 244.27 MDL Number: MFCD00079303 InChI Key: SYTBZMRGLBWNTM-UHFFFAOYNA-N Synonym: flurbiprofen,ansaid,froben,antadys,cebutid,flurofen,anside,flurbiprofene,flurbiprofeno,flurbiprofenum PubChem CID: 3394 ChEBI: CHEBI:5130 SMILES: CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1
| PubChem CID | 3394 |
|---|---|
| CAS | 5104-49-4 |
| Molecular Weight (g/mol) | 244.27 |
| ChEBI | CHEBI:5130 |
| MDL Number | MFCD00079303 |
| SMILES | CC(C(O)=O)C1=CC=C(C(F)=C1)C1=CC=CC=C1 |
| Synonym | flurbiprofen,ansaid,froben,antadys,cebutid,flurofen,anside,flurbiprofene,flurbiprofeno,flurbiprofenum |
| InChI Key | SYTBZMRGLBWNTM-UHFFFAOYNA-N |
| Molecular Formula | C15H13FO2 |
Triolein, tech.
CAS: 122-32-7 Molecular Formula: C57H104O6 Molecular Weight (g/mol): 885.453 MDL Number: MFCD00137563 InChI Key: PHYFQTYBJUILEZ-BSCDBXJPSA-N Synonym: triolein,glycerol trioleate,glyceryl trioleate,oleic triglyceride,trioleoylglycerol,glycerol triolein,oleic acid triglyceride,trioleoylglyceride,olein,glycerin trioleate PubChem CID: 45253964 IUPAC Name: [2-[(Z)-octadec-9-enoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
| PubChem CID | 45253964 |
|---|---|
| CAS | 122-32-7 |
| Molecular Weight (g/mol) | 885.453 |
| MDL Number | MFCD00137563 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC |
| Synonym | triolein,glycerol trioleate,glyceryl trioleate,oleic triglyceride,trioleoylglycerol,glycerol triolein,oleic acid triglyceride,trioleoylglyceride,olein,glycerin trioleate |
| IUPAC Name | [2-[(Z)-octadec-9-enoyl]oxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate |
| InChI Key | PHYFQTYBJUILEZ-BSCDBXJPSA-N |
| Molecular Formula | C57H104O6 |
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 |
|---|---|
| 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 |
2-Undecanol, 98+%
CAS: 1653-30-1 Molecular Formula: C11H24O Molecular Weight (g/mol): 172.31 MDL Number: MFCD00021958 InChI Key: XMUJIPOFTAHSOK-UHFFFAOYNA-N Synonym: 2-undecanol,methyl nonyl carbinol,2-hydroxyundecane,2-hendecanol,sec-undecyl alcohol,undecylic alcohol, sec,methylnonylcarbinol,fema no. 3246,sec-undecylic alcohol,+-2-undecanol PubChem CID: 15448 ChEBI: CHEBI:77930 IUPAC Name: undecan-2-ol SMILES: CCCCCCCCCC(C)O
| PubChem CID | 15448 |
|---|---|
| CAS | 1653-30-1 |
| Molecular Weight (g/mol) | 172.31 |
| ChEBI | CHEBI:77930 |
| MDL Number | MFCD00021958 |
| SMILES | CCCCCCCCCC(C)O |
| Synonym | 2-undecanol,methyl nonyl carbinol,2-hydroxyundecane,2-hendecanol,sec-undecyl alcohol,undecylic alcohol, sec,methylnonylcarbinol,fema no. 3246,sec-undecylic alcohol,+-2-undecanol |
| IUPAC Name | undecan-2-ol |
| InChI Key | XMUJIPOFTAHSOK-UHFFFAOYNA-N |
| Molecular Formula | C11H24O |
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
| 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 |
meso-2,3-Dibromosuccinic acid, 98%, Thermo Scientific Chemicals
CAS: 608-36-6 Molecular Formula: C4H2Br2O4 Molecular Weight (g/mol): 273.87 MDL Number: MFCD00066439 InChI Key: FJWGRXKOBIVTFA-XIXRPRMCSA-L Synonym: 2r,3s-2,3-dibromosuccinic acid,meso-2,3-dibromosuccinic acid,unii-d2ii9ugq9x,d2ii9ugq9x,butanedioic acid, 2,3-dibromo-, 2r,3s-rel,2r,3s-rel-2,3-dibromosuccinic acid,2r,3s-2,3-dibromobutanedioic acid,meso-dibromosuccinic acid,2,3-dibromosuccinic acid, meso,2,3-dibromosuccinic acid meso-form mi PubChem CID: 641611 IUPAC Name: (2S,3R)-2,3-dibromobutanedioic acid SMILES: [O-]C(=O)[C@@H](Br)[C@@H](Br)C([O-])=O
| PubChem CID | 641611 |
|---|---|
| CAS | 608-36-6 |
| Molecular Weight (g/mol) | 273.87 |
| MDL Number | MFCD00066439 |
| SMILES | [O-]C(=O)[C@@H](Br)[C@@H](Br)C([O-])=O |
| Synonym | 2r,3s-2,3-dibromosuccinic acid,meso-2,3-dibromosuccinic acid,unii-d2ii9ugq9x,d2ii9ugq9x,butanedioic acid, 2,3-dibromo-, 2r,3s-rel,2r,3s-rel-2,3-dibromosuccinic acid,2r,3s-2,3-dibromobutanedioic acid,meso-dibromosuccinic acid,2,3-dibromosuccinic acid, meso,2,3-dibromosuccinic acid meso-form mi |
| IUPAC Name | (2S,3R)-2,3-dibromobutanedioic acid |
| InChI Key | FJWGRXKOBIVTFA-XIXRPRMCSA-L |
| Molecular Formula | C4H2Br2O4 |
(+/-)-6-Methyl-5-hepten-2-ol, 98%
CAS: 1569-60-4 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00004561 InChI Key: OHEFFKYYKJVVOX-UHFFFAOYSA-N Synonym: 6-methyl-5-hepten-2-ol,sulcatol,5-hepten-2-ol, 6-methyl,r-sulcatol,2-methyl-2-hepten-6-ol,+/--6-methyl-5-hepten-2-ol,6-methyl-hept-5-en-2-ol,r---6-methyl-5-hepten-2-ol,6-hydroxy-2-methyl-2-heptene,acmc-20apkw PubChem CID: 20745 ChEBI: CHEBI:15833 IUPAC Name: 6-methylhept-5-en-2-ol SMILES: CC(CCC=C(C)C)O
| PubChem CID | 20745 |
|---|---|
| CAS | 1569-60-4 |
| Molecular Weight (g/mol) | 128.215 |
| ChEBI | CHEBI:15833 |
| MDL Number | MFCD00004561 |
| SMILES | CC(CCC=C(C)C)O |
| Synonym | 6-methyl-5-hepten-2-ol,sulcatol,5-hepten-2-ol, 6-methyl,r-sulcatol,2-methyl-2-hepten-6-ol,+/--6-methyl-5-hepten-2-ol,6-methyl-hept-5-en-2-ol,r---6-methyl-5-hepten-2-ol,6-hydroxy-2-methyl-2-heptene,acmc-20apkw |
| IUPAC Name | 6-methylhept-5-en-2-ol |
| InChI Key | OHEFFKYYKJVVOX-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
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 |
|---|---|
| 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 |
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
| 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 |