Organic acids and derivatives
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2-Propylvaleric Acid 99.0+%, TCI America™
CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O
| PubChem CID | 3121 |
|---|---|
| CAS | 99-66-1 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:39867 |
| MDL Number | MFCD00002672 |
| SMILES | CCCC(CCC)C(O)=O |
| Synonym | valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl |
| IUPAC Name | 2-propylpentanoic acid |
| InChI Key | NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
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 |
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 |
Diisopropyl L-(+)-Tartrate 98.0+%, TCI America™
CAS: 2217-15-4 Molecular Formula: C10H18O6 Molecular Weight (g/mol): 234.248 MDL Number: MFCD00064450 InChI Key: XEBCWEDRGPSHQH-HTQZYQBOSA-N Synonym: +-diisopropyl l-tartrate,2r,3r-diisopropyl 2,3-dihydroxysuccinate,di-isopropyl tartrate,diisoprropyl-l-tartrate,+-dipt,l-+-tartaric acid diisopropyl ester,diisopropyl l-tartrate,l-+-diisopropyl-tartrate, l-dipt,butanedioic acid, 2,3-dihydroxy-, bis 1-methylethyl ester, r,r-+/-,1,4-diisopropyl 2r,3r-2,3-dihydroxybutanedioate PubChem CID: 6453580 IUPAC Name: dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate SMILES: CC(C)OC(=O)C(C(C(=O)OC(C)C)O)O
| PubChem CID | 6453580 |
|---|---|
| CAS | 2217-15-4 |
| Molecular Weight (g/mol) | 234.248 |
| MDL Number | MFCD00064450 |
| SMILES | CC(C)OC(=O)C(C(C(=O)OC(C)C)O)O |
| Synonym | +-diisopropyl l-tartrate,2r,3r-diisopropyl 2,3-dihydroxysuccinate,di-isopropyl tartrate,diisoprropyl-l-tartrate,+-dipt,l-+-tartaric acid diisopropyl ester,diisopropyl l-tartrate,l-+-diisopropyl-tartrate, l-dipt,butanedioic acid, 2,3-dihydroxy-, bis 1-methylethyl ester, r,r-+/-,1,4-diisopropyl 2r,3r-2,3-dihydroxybutanedioate |
| IUPAC Name | dipropan-2-yl (2R,3R)-2,3-dihydroxybutanedioate |
| InChI Key | XEBCWEDRGPSHQH-HTQZYQBOSA-N |
| Molecular Formula | C10H18O6 |
Di-2-pyridyl Carbonate 98.0+%, TCI America™
CAS: 1659-31-0 Molecular Formula: C11H8N2O3 Molecular Weight (g/mol): 216.20 MDL Number: MFCD00191407 InChI Key: GCSAXWHQFYOIFE-UHFFFAOYSA-N Synonym: Carbonic Acid Di-2-pyridyl Ester PubChem CID: 2757370 IUPAC Name: bis(pyridin-2-yl) carbonate SMILES: O=C(OC1=CC=CC=N1)OC1=CC=CC=N1
| PubChem CID | 2757370 |
|---|---|
| CAS | 1659-31-0 |
| Molecular Weight (g/mol) | 216.20 |
| MDL Number | MFCD00191407 |
| SMILES | O=C(OC1=CC=CC=N1)OC1=CC=CC=N1 |
| Synonym | Carbonic Acid Di-2-pyridyl Ester |
| IUPAC Name | bis(pyridin-2-yl) carbonate |
| InChI Key | GCSAXWHQFYOIFE-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O3 |
Dimethyl 2,5-Dioxahexanedioate 98.0+%, TCI America™
CAS: 88754-66-9 Molecular Formula: C6H10O6 Molecular Weight (g/mol): 178.14 MDL Number: MFCD00085447 InChI Key: DOMLQXFMDFZAAL-UHFFFAOYSA-N Synonym: 2,5-Dioxahexanedioic Acid Dimethyl Ester PubChem CID: 263025 IUPAC Name: 2-methoxycarbonyloxyethyl methyl carbonate SMILES: COC(=O)OCCOC(=O)OC
| PubChem CID | 263025 |
|---|---|
| CAS | 88754-66-9 |
| Molecular Weight (g/mol) | 178.14 |
| MDL Number | MFCD00085447 |
| SMILES | COC(=O)OCCOC(=O)OC |
| Synonym | 2,5-Dioxahexanedioic Acid Dimethyl Ester |
| IUPAC Name | 2-methoxycarbonyloxyethyl methyl carbonate |
| InChI Key | DOMLQXFMDFZAAL-UHFFFAOYSA-N |
| Molecular Formula | C6H10O6 |
Amyl 4-Carboxyphenyl Carbonate 96.0+%, TCI America™
CAS: 377085-56-8 Molecular Formula: C13H16O5 Molecular Weight (g/mol): 252.27 MDL Number: MFCD00059647 InChI Key: RMIZZENBDILCRU-UHFFFAOYSA-N Synonym: 4-Carboxyphenyl Amyl Carbonate, 4-Carboxyphenyl Pentyl Carbonate PubChem CID: 18352252 IUPAC Name: 4-{[(pentyloxy)carbonyl]oxy}benzoic acid SMILES: CCCCCOC(=O)OC1=CC=C(C=C1)C(O)=O
| PubChem CID | 18352252 |
|---|---|
| CAS | 377085-56-8 |
| Molecular Weight (g/mol) | 252.27 |
| MDL Number | MFCD00059647 |
| SMILES | CCCCCOC(=O)OC1=CC=C(C=C1)C(O)=O |
| Synonym | 4-Carboxyphenyl Amyl Carbonate, 4-Carboxyphenyl Pentyl Carbonate |
| IUPAC Name | 4-{[(pentyloxy)carbonyl]oxy}benzoic acid |
| InChI Key | RMIZZENBDILCRU-UHFFFAOYSA-N |
| Molecular Formula | C13H16O5 |
Butyl Palmitate 95.0+%, TCI America™
CAS: 111-06-8 Molecular Formula: C20H40O2 Molecular Weight (g/mol): 312.54 MDL Number: MFCD00053738 InChI Key: GLYJVQDYLFAUFC-UHFFFAOYSA-N Synonym: Palmitic Acid Butyl Ester PubChem CID: 8090 IUPAC Name: butyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCCCC
| PubChem CID | 8090 |
|---|---|
| CAS | 111-06-8 |
| Molecular Weight (g/mol) | 312.54 |
| MDL Number | MFCD00053738 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCCCC |
| Synonym | Palmitic Acid Butyl Ester |
| IUPAC Name | butyl hexadecanoate |
| InChI Key | GLYJVQDYLFAUFC-UHFFFAOYSA-N |
| Molecular Formula | C20H40O2 |
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 |
4-Chloro-1,3-dioxolan-2-one 95.0+%, TCI America™
CAS: 3967-54-2 Molecular Formula: C3H3ClO3 Molecular Weight (g/mol): 122.504 MDL Number: MFCD00005383 InChI Key: OYOKPDLAMOMTEE-UHFFFAOYSA-N Synonym: 4-Chloro-2-oxo-1,3-dioxolane, Chloroethylene Carbonate PubChem CID: 98075 IUPAC Name: 4-chloro-1,3-dioxolan-2-one SMILES: C1C(OC(=O)O1)Cl
| PubChem CID | 98075 |
|---|---|
| CAS | 3967-54-2 |
| Molecular Weight (g/mol) | 122.504 |
| MDL Number | MFCD00005383 |
| SMILES | C1C(OC(=O)O1)Cl |
| Synonym | 4-Chloro-2-oxo-1,3-dioxolane, Chloroethylene Carbonate |
| IUPAC Name | 4-chloro-1,3-dioxolan-2-one |
| InChI Key | OYOKPDLAMOMTEE-UHFFFAOYSA-N |
| Molecular Formula | C3H3ClO3 |
1,3-Diallylurea 98.0+%, TCI America™
CAS: 1801-72-5 Molecular Formula: C7H12N2O Molecular Weight (g/mol): 140.186 MDL Number: MFCD00008639 InChI Key: QRWVOJLTHSRPOA-UHFFFAOYSA-N Synonym: 1,3-diallylurea,n,n'-diallylurea,urea, n,n'-di-2-propenyl,urea, 1,3-diallyl,unii-lxm0xy469i,diallyl urea,lxm0xy469i,urea,n,n'-di-2-propen-1-yl,diallylurea,sinapoline PubChem CID: 74537 IUPAC Name: 1,3-bis(prop-2-enyl)urea SMILES: C=CCNC(=O)NCC=C
| PubChem CID | 74537 |
|---|---|
| CAS | 1801-72-5 |
| Molecular Weight (g/mol) | 140.186 |
| MDL Number | MFCD00008639 |
| SMILES | C=CCNC(=O)NCC=C |
| Synonym | 1,3-diallylurea,n,n'-diallylurea,urea, n,n'-di-2-propenyl,urea, 1,3-diallyl,unii-lxm0xy469i,diallyl urea,lxm0xy469i,urea,n,n'-di-2-propen-1-yl,diallylurea,sinapoline |
| IUPAC Name | 1,3-bis(prop-2-enyl)urea |
| InChI Key | QRWVOJLTHSRPOA-UHFFFAOYSA-N |
| Molecular Formula | C7H12N2O |
Bis(2,2,2-trifluoroethyl) Carbonate 98.0+%, TCI America™
CAS: 1513-87-7 Molecular Formula: C5H4F6O3 Molecular Weight (g/mol): 226.074 MDL Number: MFCD11857845 InChI Key: WLLOZRDOFANZMZ-UHFFFAOYSA-N Synonym: Carbonic Acid Bis(2,2,2-trifluoroethyl) Ester PubChem CID: 11447463 IUPAC Name: bis(2,2,2-trifluoroethyl) carbonate SMILES: C(C(F)(F)F)OC(=O)OCC(F)(F)F
| PubChem CID | 11447463 |
|---|---|
| CAS | 1513-87-7 |
| Molecular Weight (g/mol) | 226.074 |
| MDL Number | MFCD11857845 |
| SMILES | C(C(F)(F)F)OC(=O)OCC(F)(F)F |
| Synonym | Carbonic Acid Bis(2,2,2-trifluoroethyl) Ester |
| IUPAC Name | bis(2,2,2-trifluoroethyl) carbonate |
| InChI Key | WLLOZRDOFANZMZ-UHFFFAOYSA-N |
| Molecular Formula | C5H4F6O3 |
Diethyl 2,5-Dioxahexanedioate 98.0+%, TCI America™
CAS: 35466-87-6 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.194 MDL Number: MFCD00460005 InChI Key: MYNUAGYBVSQRFN-UHFFFAOYSA-N Synonym: 2,5-Dioxahexanedioic Acid Diethyl Ester PubChem CID: 13172823 IUPAC Name: 2-ethoxycarbonyloxyethyl ethyl carbonate SMILES: CCOC(=O)OCCOC(=O)OCC
| PubChem CID | 13172823 |
|---|---|
| CAS | 35466-87-6 |
| Molecular Weight (g/mol) | 206.194 |
| MDL Number | MFCD00460005 |
| SMILES | CCOC(=O)OCCOC(=O)OCC |
| Synonym | 2,5-Dioxahexanedioic Acid Diethyl Ester |
| IUPAC Name | 2-ethoxycarbonyloxyethyl ethyl carbonate |
| InChI Key | MYNUAGYBVSQRFN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O6 |
1,1,3,3-Tetrabutylurea 98.0+%, TCI America™
CAS: 4559-86-8 Molecular Formula: C17H36N2O Molecular Weight (g/mol): 284.488 MDL Number: MFCD00042901 InChI Key: SNDGLCYYBKJSOT-UHFFFAOYSA-N PubChem CID: 20691 IUPAC Name: 1,1,3,3-tetrabutylurea SMILES: CCCCN(CCCC)C(=O)N(CCCC)CCCC
| PubChem CID | 20691 |
|---|---|
| CAS | 4559-86-8 |
| Molecular Weight (g/mol) | 284.488 |
| MDL Number | MFCD00042901 |
| SMILES | CCCCN(CCCC)C(=O)N(CCCC)CCCC |
| IUPAC Name | 1,1,3,3-tetrabutylurea |
| InChI Key | SNDGLCYYBKJSOT-UHFFFAOYSA-N |
| Molecular Formula | C17H36N2O |
2-Propynylurea 98.0+%, TCI America™
CAS: 5221-62-5 Molecular Formula: C4H6N2O Molecular Weight (g/mol): 98.105 MDL Number: MFCD00052817 InChI Key: LJPYJRMMPVFEKR-UHFFFAOYSA-N Synonym: 1-prop-2-ynyl urea,1-prop-2-yn-1-yl urea,n-prop-2-ynylurea,propargylurea,n-propargylurea,2-propynylurea,prop-2-yn-1-yl urea,prop-2-yn-1-ylurea,prop-2-ynyl-urea,1-prop-2-ynylurea PubChem CID: 2777182 IUPAC Name: prop-2-ynylurea SMILES: C#CCNC(=O)N
| PubChem CID | 2777182 |
|---|---|
| CAS | 5221-62-5 |
| Molecular Weight (g/mol) | 98.105 |
| MDL Number | MFCD00052817 |
| SMILES | C#CCNC(=O)N |
| Synonym | 1-prop-2-ynyl urea,1-prop-2-yn-1-yl urea,n-prop-2-ynylurea,propargylurea,n-propargylurea,2-propynylurea,prop-2-yn-1-yl urea,prop-2-yn-1-ylurea,prop-2-ynyl-urea,1-prop-2-ynylurea |
| IUPAC Name | prop-2-ynylurea |
| InChI Key | LJPYJRMMPVFEKR-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2O |