Organic acids and derivatives
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2,6-Di-O-palmitoyl-L-ascorbic Acid 97.0+%, TCI America™
CAS: 4218-81-9 Molecular Formula: C38H68O8 Molecular Weight (g/mol): 652.95 MDL Number: MFCD00059738 InChI Key: TUYRNAGGIJZRNM-UHFFFAOYNA-N Synonym: L-Ascorbyl 2,6-Dipalmitate PubChem CID: 54722209 IUPAC Name: 2-[4-(hexadecanoyloxy)-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(OC(=O)CCCCCCCCCCCCCCC)=C1O
| PubChem CID | 54722209 |
|---|---|
| CAS | 4218-81-9 |
| Molecular Weight (g/mol) | 652.95 |
| MDL Number | MFCD00059738 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(OC(=O)CCCCCCCCCCCCCCC)=C1O |
| Synonym | L-Ascorbyl 2,6-Dipalmitate |
| IUPAC Name | 2-[4-(hexadecanoyloxy)-3-hydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethyl hexadecanoate |
| InChI Key | TUYRNAGGIJZRNM-UHFFFAOYNA-N |
| Molecular Formula | C38H68O8 |
Tricholine Citrate (ca. 65% in Water), TCI America™
CAS: 546-63-4 Molecular Formula: C21H47N3O10 Molecular Weight (g/mol): 501.618 MDL Number: MFCD00059985 InChI Key: RPERJPYDELTDMR-UHFFFAOYSA-K Synonym: Choline Citrate Solution PubChem CID: 11024 IUPAC Name: 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropane-1,2,3-tricarboxylate SMILES: C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
| PubChem CID | 11024 |
|---|---|
| CAS | 546-63-4 |
| Molecular Weight (g/mol) | 501.618 |
| MDL Number | MFCD00059985 |
| SMILES | C[N+](C)(C)CCO.C[N+](C)(C)CCO.C[N+](C)(C)CCO.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O |
| Synonym | Choline Citrate Solution |
| IUPAC Name | 2-hydroxyethyl(trimethyl)azanium;2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | RPERJPYDELTDMR-UHFFFAOYSA-K |
| Molecular Formula | C21H47N3O10 |
Trimethyl trans-Aconitate 97.0+%, TCI America™
CAS: 4271-99-2 Molecular Formula: C9H12O6 Molecular Weight (g/mol): 216.189 MDL Number: MFCD00059304 InChI Key: DZAIBGWGBBQGPZ-GQCTYLIASA-N Synonym: trans-Aconitic Acid Trimethyl Ester PubChem CID: 6376716 IUPAC Name: trimethyl (E)-prop-1-ene-1,2,3-tricarboxylate SMILES: COC(=O)CC(=CC(=O)OC)C(=O)OC
| PubChem CID | 6376716 |
|---|---|
| CAS | 4271-99-2 |
| Molecular Weight (g/mol) | 216.189 |
| MDL Number | MFCD00059304 |
| SMILES | COC(=O)CC(=CC(=O)OC)C(=O)OC |
| Synonym | trans-Aconitic Acid Trimethyl Ester |
| IUPAC Name | trimethyl (E)-prop-1-ene-1,2,3-tricarboxylate |
| InChI Key | DZAIBGWGBBQGPZ-GQCTYLIASA-N |
| Molecular Formula | C9H12O6 |
Tributyl Citrate 98.0+%, TCI America™
CAS: 77-94-1 Molecular Formula: C18H32O7 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00027217 InChI Key: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N Synonym: tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester PubChem CID: 6507 IUPAC Name: 1,2,3-tributyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
| PubChem CID | 6507 |
|---|---|
| CAS | 77-94-1 |
| Molecular Weight (g/mol) | 360.45 |
| MDL Number | MFCD00027217 |
| SMILES | CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC |
| Synonym | tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester |
| IUPAC Name | 1,2,3-tributyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | ZFOZVQLOBQUTQQ-UHFFFAOYSA-N |
| Molecular Formula | C18H32O7 |
Ethyl Phthalyl Ethyl Glycolate 95.0+%, TCI America™
CAS: 84-72-0 Molecular Formula: C14H16O6 Molecular Weight (g/mol): 280.28 MDL Number: MFCD00059377 InChI Key: PZBLUWVMZMXIKZ-UHFFFAOYSA-N Synonym: Ethoxycarbonylmethyl Ethyl Phthalate, Phthalic Acid Ethoxycarbonylmethyl Ethyl Ester PubChem CID: 6785 IUPAC Name: ethyl 2-[(2-ethoxy-2-oxoethoxy)carbonyl]benzoate SMILES: CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC
| PubChem CID | 6785 |
|---|---|
| CAS | 84-72-0 |
| Molecular Weight (g/mol) | 280.28 |
| MDL Number | MFCD00059377 |
| SMILES | CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC |
| Synonym | Ethoxycarbonylmethyl Ethyl Phthalate, Phthalic Acid Ethoxycarbonylmethyl Ethyl Ester |
| IUPAC Name | ethyl 2-[(2-ethoxy-2-oxoethoxy)carbonyl]benzoate |
| InChI Key | PZBLUWVMZMXIKZ-UHFFFAOYSA-N |
| Molecular Formula | C14H16O6 |
Trimethyl Citrate 98.0+%, TCI America™
CAS: 1587-20-8 Molecular Formula: C9H14O7 Molecular Weight (g/mol): 234.204 MDL Number: MFCD00025889 InChI Key: HDDLVZWGOPWKFW-UHFFFAOYSA-N Synonym: Citric Acid Trimethyl Ester PubChem CID: 74112 IUPAC Name: trimethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: COC(=O)CC(CC(=O)OC)(C(=O)OC)O
| PubChem CID | 74112 |
|---|---|
| CAS | 1587-20-8 |
| Molecular Weight (g/mol) | 234.204 |
| MDL Number | MFCD00025889 |
| SMILES | COC(=O)CC(CC(=O)OC)(C(=O)OC)O |
| Synonym | Citric Acid Trimethyl Ester |
| IUPAC Name | trimethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | HDDLVZWGOPWKFW-UHFFFAOYSA-N |
| Molecular Formula | C9H14O7 |
4,5-Dicarboxy-gamma-pentadecanolactone 98.0+%, TCI America™
CAS: 469-77-2 Molecular Formula: C17H28O6 Molecular Weight (g/mol): 328.405 MDL Number: MFCD00059059 InChI Key: TUXHHVJPGQUPCF-SUMWQHHRSA-N Synonym: Spiculisporic Acid PubChem CID: 95228527 IUPAC Name: (2R)-2-[(1R)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acid SMILES: CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)O
| PubChem CID | 95228527 |
|---|---|
| CAS | 469-77-2 |
| Molecular Weight (g/mol) | 328.405 |
| MDL Number | MFCD00059059 |
| SMILES | CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)O |
| Synonym | Spiculisporic Acid |
| IUPAC Name | (2R)-2-[(1R)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acid |
| InChI Key | TUXHHVJPGQUPCF-SUMWQHHRSA-N |
| Molecular Formula | C17H28O6 |
Trimethyl Trimellitate 95.0+%, TCI America™
CAS: 10-1-2459 Molecular Formula: C12H12O6 Molecular Weight (g/mol): 252.22 MDL Number: MFCD00043629 InChI Key: MJHNUUNSCNRGJE-UHFFFAOYSA-N Synonym: trimethyl trimellitate,trimethyl 1,2,4-benzenetricarboxylate,methyl trimellitate,trimellitic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, trimethyl ester,unii-16o7dt5n66,1,2,4-benzenetricarboxylic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, 1,2,4-trimethyl ester,1,2,4-trimethyl benzene-1,2,4-tricarboxylate,acmc-1ckkm PubChem CID: 17159 IUPAC Name: trimethyl benzene-1,2,4-tricarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC
| PubChem CID | 17159 |
|---|---|
| CAS | 10-1-2459 |
| Molecular Weight (g/mol) | 252.22 |
| MDL Number | MFCD00043629 |
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC |
| Synonym | trimethyl trimellitate,trimethyl 1,2,4-benzenetricarboxylate,methyl trimellitate,trimellitic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, trimethyl ester,unii-16o7dt5n66,1,2,4-benzenetricarboxylic acid trimethyl ester,1,2,4-benzenetricarboxylic acid, 1,2,4-trimethyl ester,1,2,4-trimethyl benzene-1,2,4-tricarboxylate,acmc-1ckkm |
| IUPAC Name | trimethyl benzene-1,2,4-tricarboxylate |
| InChI Key | MJHNUUNSCNRGJE-UHFFFAOYSA-N |
| Molecular Formula | C12H12O6 |
1,2,3-Propanetricarboxylic Acid 98.0+%, TCI America™
CAS: 99-14-9 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00002723 InChI Key: KQTIIICEAUMSDG-UHFFFAOYSA-N Synonym: tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid PubChem CID: 14925 ChEBI: CHEBI:45969 IUPAC Name: propane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(CC(O)=O)C(O)=O
| PubChem CID | 14925 |
|---|---|
| CAS | 99-14-9 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:45969 |
| MDL Number | MFCD00002723 |
| SMILES | OC(=O)CC(CC(O)=O)C(O)=O |
| Synonym | tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid |
| IUPAC Name | propane-1,2,3-tricarboxylic acid |
| InChI Key | KQTIIICEAUMSDG-UHFFFAOYSA-N |
| Molecular Formula | C6H8O6 |
(1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarboxylic Acid 98.0+%, TCI America™
CAS: 16526-68-4 Molecular Formula: C9H12O6 Molecular Weight (g/mol): 216.189 MDL Number: MFCD00075294 InChI Key: FTHDNRBKSLBLDA-UHFFFAOYSA-N PubChem CID: 349732 IUPAC Name: cyclohexane-1,3,5-tricarboxylic acid SMILES: C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 349732 |
|---|---|
| CAS | 16526-68-4 |
| Molecular Weight (g/mol) | 216.189 |
| MDL Number | MFCD00075294 |
| SMILES | C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclohexane-1,3,5-tricarboxylic acid |
| InChI Key | FTHDNRBKSLBLDA-UHFFFAOYSA-N |
| Molecular Formula | C9H12O6 |
Trimethylolpropane Trimethacrylate (stabilized with MEHQ) 90.0+%, TCI America™
CAS: 3290-92-4 Molecular Formula: C18H26O6 Molecular Weight (g/mol): 338.4 MDL Number: MFCD00008588 InChI Key: OKKRPWIIYQTPQF-UHFFFAOYSA-N Synonym: 2-Ethyl-2-hydroxymethyl-1,3-propanediol Trimethacrylate PubChem CID: 18689 ChEBI: CHEBI:35029 IUPAC Name: 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate SMILES: CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C
| PubChem CID | 18689 |
|---|---|
| CAS | 3290-92-4 |
| Molecular Weight (g/mol) | 338.4 |
| ChEBI | CHEBI:35029 |
| MDL Number | MFCD00008588 |
| SMILES | CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C |
| Synonym | 2-Ethyl-2-hydroxymethyl-1,3-propanediol Trimethacrylate |
| IUPAC Name | 2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate |
| InChI Key | OKKRPWIIYQTPQF-UHFFFAOYSA-N |
| Molecular Formula | C18H26O6 |
Tris(2-ethylhexyl) Trimellitate 97.0+%, TCI America™
CAS: 3319-31-1 Molecular Formula: C33H54O6 Molecular Weight (g/mol): 546.789 MDL Number: MFCD00053799 InChI Key: KRADHMIOFJQKEZ-UHFFFAOYSA-N Synonym: totm,tris 2-ethylhexyl trimellitate,kodaflex totm,tri-2-ethylhexyl trimellitate,staflex totm,morflex 510,1,2,4-benzenetricarboxylic acid, tris 2-ethylhexyl ester,hatcol 200,trimex t 08 PubChem CID: 18725 IUPAC Name: tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
| PubChem CID | 18725 |
|---|---|
| CAS | 3319-31-1 |
| Molecular Weight (g/mol) | 546.789 |
| MDL Number | MFCD00053799 |
| SMILES | CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC |
| Synonym | totm,tris 2-ethylhexyl trimellitate,kodaflex totm,tri-2-ethylhexyl trimellitate,staflex totm,morflex 510,1,2,4-benzenetricarboxylic acid, tris 2-ethylhexyl ester,hatcol 200,trimex t 08 |
| IUPAC Name | tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate |
| InChI Key | KRADHMIOFJQKEZ-UHFFFAOYSA-N |
| Molecular Formula | C33H54O6 |
Disodium Citrate Sesquihydrate 98.0+%, TCI America™
CAS: 5-4-6132 Molecular Formula: C12H18Na4O17 Molecular Weight (g/mol): 526.22 MDL Number: MFCD00150445 InChI Key: HGPVLOQNBSHYEI-UHFFFAOYNA-J Synonym: unii-cz1032cekr,cz1032cekr,sodium citrate dibasic sesquihydrate,disodium citrate sesquihydrate,disodium hydrogen citrate 1.5 h2o,sodium hydrogen citrate sesquihydrate,citric acid, disodium salt, sesquihydrate,tetrasodium, 3-carboxy-3-hydroxypentanedioate, trihydrate,sodium citrate dibasic sesquihydrate, purum p.a t,1,2,3-propanetricarboxylic acid, 2-hydroxy-, disodium salt, hydrate 2:3 PubChem CID: 117063816 IUPAC Name: tetrasodium;2-(carboxymethyl)-2-hydroxybutanedioate;trihydrate SMILES: C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.[Na+].[Na+].[Na+].[Na+]
| PubChem CID | 117063816 |
|---|---|
| CAS | 5-4-6132 |
| Molecular Weight (g/mol) | 526.22 |
| MDL Number | MFCD00150445 |
| SMILES | C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.[Na+].[Na+].[Na+].[Na+] |
| Synonym | unii-cz1032cekr,cz1032cekr,sodium citrate dibasic sesquihydrate,disodium citrate sesquihydrate,disodium hydrogen citrate 1.5 h2o,sodium hydrogen citrate sesquihydrate,citric acid, disodium salt, sesquihydrate,tetrasodium, 3-carboxy-3-hydroxypentanedioate, trihydrate,sodium citrate dibasic sesquihydrate, purum p.a t,1,2,3-propanetricarboxylic acid, 2-hydroxy-, disodium salt, hydrate 2:3 |
| IUPAC Name | tetrasodium;2-(carboxymethyl)-2-hydroxybutanedioate;trihydrate |
| InChI Key | HGPVLOQNBSHYEI-UHFFFAOYNA-J |
| Molecular Formula | C12H18Na4O17 |
L-Ascorbyl 2,6-Dibutyrate 98.0+%, TCI America™
CAS: 4337-04-6 Molecular Formula: C14H20O8 Molecular Weight (g/mol): 316.31 MDL Number: MFCD00144561 InChI Key: BFXWCTCPRAYDEB-UHFFFAOYNA-N Synonym: 2,6-Di-O-butyryl-L-ascorbic Acid PubChem CID: 124632456 IUPAC Name: [(2R)-2-[(2S)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] butanoate SMILES: CCCC(=O)OCC(C1C(=C(C(=O)O1)OC(=O)CCC)O)O
| PubChem CID | 124632456 |
|---|---|
| CAS | 4337-04-6 |
| Molecular Weight (g/mol) | 316.31 |
| MDL Number | MFCD00144561 |
| SMILES | CCCC(=O)OCC(C1C(=C(C(=O)O1)OC(=O)CCC)O)O |
| Synonym | 2,6-Di-O-butyryl-L-ascorbic Acid |
| IUPAC Name | [(2R)-2-[(2S)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] butanoate |
| InChI Key | BFXWCTCPRAYDEB-UHFFFAOYNA-N |
| Molecular Formula | C14H20O8 |
1,3,5-Benzenetricarboxylic Acid 98.0+%, TCI America™
CAS: 554-95-0 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002517 InChI Key: QMKYBPDZANOJGF-UHFFFAOYSA-N Synonym: trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 PubChem CID: 11138 ChEBI: CHEBI:46032 IUPAC Name: benzene-1,3,5-tricarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
| PubChem CID | 11138 |
|---|---|
| CAS | 554-95-0 |
| Molecular Weight (g/mol) | 210.14 |
| ChEBI | CHEBI:46032 |
| MDL Number | MFCD00002517 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O |
| Synonym | trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 |
| IUPAC Name | benzene-1,3,5-tricarboxylic acid |
| InChI Key | QMKYBPDZANOJGF-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |