Organic acids and derivatives
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Diethyl Phenyl Orthoformate 97.0+%, TCI America™
CAS: 14444-77-0 Molecular Formula: C11H16O3 Molecular Weight (g/mol): 196.246 MDL Number: MFCD00009228 InChI Key: QTURWMMVIIBRRP-UHFFFAOYSA-N Synonym: diethyl phenyl orthoformate,diethoxymethoxy benzene,benzene, diethoxymethoxy,diethoxymethoxy-benzene,acmc-209csr,diethoxy phenoxy methane,diethoxymethoxy benzene #,diethylphenyl orthoformate,orthoformic acid diethyl phenyl ester PubChem CID: 84440 IUPAC Name: diethoxymethoxybenzene SMILES: CCOC(OCC)OC1=CC=CC=C1
| PubChem CID | 84440 |
|---|---|
| CAS | 14444-77-0 |
| Molecular Weight (g/mol) | 196.246 |
| MDL Number | MFCD00009228 |
| SMILES | CCOC(OCC)OC1=CC=CC=C1 |
| Synonym | diethyl phenyl orthoformate,diethoxymethoxy benzene,benzene, diethoxymethoxy,diethoxymethoxy-benzene,acmc-209csr,diethoxy phenoxy methane,diethoxymethoxy benzene #,diethylphenyl orthoformate,orthoformic acid diethyl phenyl ester |
| IUPAC Name | diethoxymethoxybenzene |
| InChI Key | QTURWMMVIIBRRP-UHFFFAOYSA-N |
| Molecular Formula | C11H16O3 |
Stigmasterol 90.0+%, TCI America™
CAS: 83-48-7 Molecular Formula: C29H48O Molecular Weight (g/mol): 412.70 MDL Number: MFCD00003630 InChI Key: HCXVJBMSMIARIN-PHZDYDNGSA-N Synonym: stigmasterol,stigmasterin,beta-stigmasterol,stigmasta-5,22-dien-3beta-ol,24s-5,22-stigmastadien-3beta-ol,unii-99wuk5d0y8,stigmasta-5,22e-dien-3beta-ol,stigmasta-5,22-dien-3-beta-ol,3beta,22e-stigmasta-5,22-dien-3-ol,stigmasta-5,22-dien-3-ol, 3b,22e PubChem CID: 5280794 ChEBI: CHEBI:28824 IUPAC Name: (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol SMILES: CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
| PubChem CID | 5280794 |
|---|---|
| CAS | 83-48-7 |
| Molecular Weight (g/mol) | 412.70 |
| ChEBI | CHEBI:28824 |
| MDL Number | MFCD00003630 |
| SMILES | CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |
| Synonym | stigmasterol,stigmasterin,beta-stigmasterol,stigmasta-5,22-dien-3beta-ol,24s-5,22-stigmastadien-3beta-ol,unii-99wuk5d0y8,stigmasta-5,22e-dien-3beta-ol,stigmasta-5,22-dien-3-beta-ol,3beta,22e-stigmasta-5,22-dien-3-ol,stigmasta-5,22-dien-3-ol, 3b,22e |
| IUPAC Name | (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol |
| InChI Key | HCXVJBMSMIARIN-PHZDYDNGSA-N |
| Molecular Formula | C29H48O |
Scopolamine Methyl Nitrate 98.0+%, TCI America™
CAS: 6106-46-3 Molecular Formula: C18H24N2O7 Molecular Weight (g/mol): 380.40 MDL Number: MFCD00078239 InChI Key: BSQIVYOSLFLSGE-ODDNLWGVSA-N Synonym: Methscopolamine Nitrate PubChem CID: 24847384 IUPAC Name: (1S,2R,4S,5S)-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-9-ium nitrate SMILES: [O-][N+]([O-])=O.C[N+]1(C)[C@H]2CC(C[C@H]1[C@@H]1O[C@H]21)OC(=O)C(CO)C1=CC=CC=C1
| PubChem CID | 24847384 |
|---|---|
| CAS | 6106-46-3 |
| Molecular Weight (g/mol) | 380.40 |
| MDL Number | MFCD00078239 |
| SMILES | [O-][N+]([O-])=O.C[N+]1(C)[C@H]2CC(C[C@H]1[C@@H]1O[C@H]21)OC(=O)C(CO)C1=CC=CC=C1 |
| Synonym | Methscopolamine Nitrate |
| IUPAC Name | (1S,2R,4S,5S)-7-[(3-hydroxy-2-phenylpropanoyl)oxy]-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-9-ium nitrate |
| InChI Key | BSQIVYOSLFLSGE-ODDNLWGVSA-N |
| Molecular Formula | C18H24N2O7 |
Ethyl 3-Phenylpropionate 98.0+%, TCI America™
CAS: 2021-28-5 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009206 InChI Key: JAGZUIGGHGTFHO-UHFFFAOYSA-N Synonym: ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate PubChem CID: 16237 IUPAC Name: ethyl 3-phenylpropanoate SMILES: CCOC(=O)CCC1=CC=CC=C1
| PubChem CID | 16237 |
|---|---|
| CAS | 2021-28-5 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00009206 |
| SMILES | CCOC(=O)CCC1=CC=CC=C1 |
| Synonym | ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate |
| IUPAC Name | ethyl 3-phenylpropanoate |
| InChI Key | JAGZUIGGHGTFHO-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Propyl Propionate 98.0+%, TCI America™
CAS: 106-36-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009373 InChI Key: MCSINKKTEDDPNK-UHFFFAOYSA-N Synonym: propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester PubChem CID: 7803 IUPAC Name: propyl propanoate SMILES: CCCOC(=O)CC
| PubChem CID | 7803 |
|---|---|
| CAS | 106-36-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009373 |
| SMILES | CCCOC(=O)CC |
| Synonym | propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester |
| IUPAC Name | propyl propanoate |
| InChI Key | MCSINKKTEDDPNK-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
2-Phenylethyl Isobutyrate 98.0+%, TCI America™
CAS: 103-48-0 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00026441 InChI Key: JDQVBGQWADMTAM-UHFFFAOYSA-N Synonym: Isobutyric Acid 2-Phenylethyl Ester, Phenethyl Isobutyrate, Isobutyric Acid Phenethyl Ester PubChem CID: 7655 ChEBI: CHEBI:87409 IUPAC Name: 2-phenylethyl 2-methylpropanoate SMILES: CC(C)C(=O)OCCC1=CC=CC=C1
| PubChem CID | 7655 |
|---|---|
| CAS | 103-48-0 |
| Molecular Weight (g/mol) | 192.26 |
| ChEBI | CHEBI:87409 |
| MDL Number | MFCD00026441 |
| SMILES | CC(C)C(=O)OCCC1=CC=CC=C1 |
| Synonym | Isobutyric Acid 2-Phenylethyl Ester, Phenethyl Isobutyrate, Isobutyric Acid Phenethyl Ester |
| IUPAC Name | 2-phenylethyl 2-methylpropanoate |
| InChI Key | JDQVBGQWADMTAM-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
Ethyl Phenylcyanoacetate 95.0+%, TCI America™
CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N Synonym: ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester PubChem CID: 95298 ChEBI: CHEBI:51926 IUPAC Name: ethyl 2-cyano-2-phenylacetate SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1
| PubChem CID | 95298 |
|---|---|
| CAS | 4553-07-5 |
| Molecular Weight (g/mol) | 189.21 |
| ChEBI | CHEBI:51926 |
| MDL Number | MFCD00001866 |
| SMILES | CCOC(=O)C(C#N)C1=CC=CC=C1 |
| Synonym | ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester |
| IUPAC Name | ethyl 2-cyano-2-phenylacetate |
| InChI Key | SXIRJEDGTAKGKU-UHFFFAOYNA-N |
| Molecular Formula | C11H11NO2 |
4-Pentylcyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 38792-89-1 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00466238 InChI Key: RVLAXPQGTRTHEV-UHFFFAOYSA-N Synonym: 4-Amylcyclohexanecarboxylic Acid PubChem CID: 98882 IUPAC Name: 4-pentylcyclohexane-1-carboxylic acid SMILES: CCCCCC1CCC(CC1)C(=O)O
| PubChem CID | 98882 |
|---|---|
| CAS | 38792-89-1 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00466238 |
| SMILES | CCCCCC1CCC(CC1)C(=O)O |
| Synonym | 4-Amylcyclohexanecarboxylic Acid |
| IUPAC Name | 4-pentylcyclohexane-1-carboxylic acid |
| InChI Key | RVLAXPQGTRTHEV-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
2-Phenylethyl Isovalerate 98.0+%, TCI America™
CAS: 140-26-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00044322 InChI Key: JIMGVOCOYZFDKB-UHFFFAOYSA-N Synonym: phenylethyl isovalerate,phenethyl isovalerate,2-phenylethyl isovalerate,butanoic acid, 3-methyl-, 2-phenylethyl ester,isovaleric acid, phenethyl ester,phenylethyl 3-methylbutyrate,phenethyl isovalerianate,2-phenylethyl 3-methylbutirate,benzylcarbinyl isovalerate,phenethyl 3-methylbutyrate PubChem CID: 8792 IUPAC Name: 2-phenylethyl 3-methylbutanoate SMILES: CC(C)CC(=O)OCCC1=CC=CC=C1
| PubChem CID | 8792 |
|---|---|
| CAS | 140-26-1 |
| Molecular Weight (g/mol) | 206.285 |
| MDL Number | MFCD00044322 |
| SMILES | CC(C)CC(=O)OCCC1=CC=CC=C1 |
| Synonym | phenylethyl isovalerate,phenethyl isovalerate,2-phenylethyl isovalerate,butanoic acid, 3-methyl-, 2-phenylethyl ester,isovaleric acid, phenethyl ester,phenylethyl 3-methylbutyrate,phenethyl isovalerianate,2-phenylethyl 3-methylbutirate,benzylcarbinyl isovalerate,phenethyl 3-methylbutyrate |
| IUPAC Name | 2-phenylethyl 3-methylbutanoate |
| InChI Key | JIMGVOCOYZFDKB-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-alpha-D-mannopyranoside 98.0+%, TCI America™
CAS: 108032-93-5 Molecular Formula: C20H24O9S Molecular Weight (g/mol): 440.463 MDL Number: MFCD01862644 InChI Key: JCKOUAWEMPKIAT-SWBPCFCJSA-N PubChem CID: 10993883 IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 10993883 |
|---|---|
| CAS | 108032-93-5 |
| Molecular Weight (g/mol) | 440.463 |
| MDL Number | MFCD01862644 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)SC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C |
| IUPAC Name | [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methyl acetate |
| InChI Key | JCKOUAWEMPKIAT-SWBPCFCJSA-N |
| Molecular Formula | C20H24O9S |
Pentaerythritol Tetrastearate (so called) 95.0+%, TCI America™
CAS: 115-83-3 Molecular Formula: C77H148O8 Molecular Weight (g/mol): 1202.02 MDL Number: MFCD00041922 InChI Key: OCKWAZCWKSMKNC-UHFFFAOYSA-N Synonym: pentaerythrityl tetrastearate,pentaerythritol tetrastearate,unii-w9q3dzs0eg,stearic acid, neopentanetetrayl ester,w9q3dzs0eg,3-octadecanoyloxy-2,2-bis octadecanoyloxymethyl propyl octadecanoate,octadecanoic acid, 2,2-bis 1-oxooctadecyl oxy methyl-1,3-propanediyl ester,pe tetrastearate,pentaerythrittetrastearat PubChem CID: 61037 IUPAC Name: 3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
| PubChem CID | 61037 |
|---|---|
| CAS | 115-83-3 |
| Molecular Weight (g/mol) | 1202.02 |
| MDL Number | MFCD00041922 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC |
| Synonym | pentaerythrityl tetrastearate,pentaerythritol tetrastearate,unii-w9q3dzs0eg,stearic acid, neopentanetetrayl ester,w9q3dzs0eg,3-octadecanoyloxy-2,2-bis octadecanoyloxymethyl propyl octadecanoate,octadecanoic acid, 2,2-bis 1-oxooctadecyl oxy methyl-1,3-propanediyl ester,pe tetrastearate,pentaerythrittetrastearat |
| IUPAC Name | 3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propyl octadecanoate |
| InChI Key | OCKWAZCWKSMKNC-UHFFFAOYSA-N |
| Molecular Formula | C77H148O8 |
Tetrahydro-2-pyrimidinone 97.0+%, TCI America™
CAS: 1852-17-1 Molecular Formula: C4H8N2O Molecular Weight (g/mol): 100.12 MDL Number: MFCD00014593 InChI Key: NQPJDJVGBDHCAD-UHFFFAOYSA-N PubChem CID: 74615 IUPAC Name: 1,3-diazinan-2-one SMILES: O=C1NCCCN1
| PubChem CID | 74615 |
|---|---|
| CAS | 1852-17-1 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00014593 |
| SMILES | O=C1NCCCN1 |
| IUPAC Name | 1,3-diazinan-2-one |
| InChI Key | NQPJDJVGBDHCAD-UHFFFAOYSA-N |
| Molecular Formula | C4H8N2O |
Allylurea 98.0+%, TCI America™
CAS: 557-11-9 Molecular Formula: C4H8N2O Molecular Weight (g/mol): 100.121 MDL Number: MFCD00007954 InChI Key: VPJDULFXCAQHRC-UHFFFAOYSA-N Synonym: allylurea,1-allylurea,n-allylurea,urea, 2-propenyl,allylcarbamide,monoallylurea,allyl urea,n-2-propenylurea,urea, allyl,2-propenylurea PubChem CID: 11181 IUPAC Name: prop-2-enylurea SMILES: C=CCNC(=O)N
| PubChem CID | 11181 |
|---|---|
| CAS | 557-11-9 |
| Molecular Weight (g/mol) | 100.121 |
| MDL Number | MFCD00007954 |
| SMILES | C=CCNC(=O)N |
| Synonym | allylurea,1-allylurea,n-allylurea,urea, 2-propenyl,allylcarbamide,monoallylurea,allyl urea,n-2-propenylurea,urea, allyl,2-propenylurea |
| IUPAC Name | prop-2-enylurea |
| InChI Key | VPJDULFXCAQHRC-UHFFFAOYSA-N |
| Molecular Formula | C4H8N2O |
Ethylene Carbonate 99.0+%, TCI America™
CAS: 96-49-1 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.062 MDL Number: MFCD00005382 InChI Key: KMTRUDSVKNLOMY-UHFFFAOYSA-N Synonym: ethylene carbonate,glycol carbonate,ethylene glycol carbonate,dioxolone-2,cyclic ethylene carbonate,ethylene carbonic acid,1,3-dioxacyclopentan-2-one,2-dioxolone,carbonic acid, cyclic ethylene ester,texacar ec PubChem CID: 7303 IUPAC Name: 1,3-dioxolan-2-one SMILES: C1COC(=O)O1
| PubChem CID | 7303 |
|---|---|
| CAS | 96-49-1 |
| Molecular Weight (g/mol) | 88.062 |
| MDL Number | MFCD00005382 |
| SMILES | C1COC(=O)O1 |
| Synonym | ethylene carbonate,glycol carbonate,ethylene glycol carbonate,dioxolone-2,cyclic ethylene carbonate,ethylene carbonic acid,1,3-dioxacyclopentan-2-one,2-dioxolone,carbonic acid, cyclic ethylene ester,texacar ec |
| IUPAC Name | 1,3-dioxolan-2-one |
| InChI Key | KMTRUDSVKNLOMY-UHFFFAOYSA-N |
| Molecular Formula | C3H4O3 |
Lithium Trifluoro(trifluoromethyl)borate - Dimethyl Carbonate Complex 98.0+%, TCI America™
CAS: 1443685-69-5 Molecular Formula: C4H6BF6LiO3 Molecular Weight (g/mol): 233.829 InChI Key: ZGAWBZORCLPFJC-UHFFFAOYSA-N PubChem CID: 56973698 IUPAC Name: lithium;dimethyl carbonate;trifluoro(trifluoromethyl)boranuide SMILES: [Li+].[B-](C(F)(F)F)(F)(F)F.COC(=O)OC
| PubChem CID | 56973698 |
|---|---|
| CAS | 1443685-69-5 |
| Molecular Weight (g/mol) | 233.829 |
| SMILES | [Li+].[B-](C(F)(F)F)(F)(F)F.COC(=O)OC |
| IUPAC Name | lithium;dimethyl carbonate;trifluoro(trifluoromethyl)boranuide |
| InChI Key | ZGAWBZORCLPFJC-UHFFFAOYSA-N |
| Molecular Formula | C4H6BF6LiO3 |