Benzene and substituted derivatives
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TraceCERT™ EPA 8270 Phenols Mix, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™
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.
Guaifenesin, USP, 98-102%, Spectrum™ Chemical
CAS: 93-14-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00016873 InChI Key: HSRJKNPTNIJEKV-UHFFFAOYNA-N IUPAC Name: 3-(2-methoxyphenoxy)propane-1,2-diol SMILES: COC1=CC=CC=C1OCC(O)CO
| CAS | 93-14-1 |
|---|---|
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00016873 |
| SMILES | COC1=CC=CC=C1OCC(O)CO |
| IUPAC Name | 3-(2-methoxyphenoxy)propane-1,2-diol |
| InChI Key | HSRJKNPTNIJEKV-UHFFFAOYNA-N |
| Molecular Formula | C10H14O4 |
Hippuric Acid Analytical Standard, MilliporeSigma™ Supelco™
Hippuric acid, the glycine conjugate of benzoic acid, is formed via a biotransformation process. From scientific literature, it is reported to be found as an excretory product in urine. Hippuric acid is also known to be catabolically synthesized from benzene-type aromatic compounds.
| Percent Purity | ≥97.5% (GC) |
|---|---|
| CAS | 495-69-2 |
| MDL Number | MFCD00002692 |
| UN Number | NONH for all modes of transport |
| Synonym | N-Benzoylglycine; Benzoylaminoacetic Acid |
| RTECS Number | MR8150000 |
| Grade | Analytical Standard |
| Shelf Life | Limited shelf life, expiry date on the label |
| Molecular Formula | C9H9NO3 |
| Formula Weight | 179.17 |
| Melting Point | 187°C to 191°C (literature) |
| CAS | 3380-34-5 |
|---|
Allyltriphenylphosphonium bromide, 99%
CAS: 1560-54-9 Molecular Formula: C21H20BrP Molecular Weight (g/mol): 383.27 MDL Number: MFCD00011808 InChI Key: FWYKRJUVEOBFGH-UHFFFAOYSA-M Synonym: allyltriphenylphosphonium bromide,triphenyl allylphosphonium bromide,phosphonium, triphenyl-2-propenyl-, bromide,allyl triphenylphosphonium bromide,phosphonium, allyltriphenyl-, bromide,allyltriphenylphosphonium bromide tal,triphenyl prop-2-enyl phosphanium bromide,2-propenyltriphenylphosphonium bromide,triphenyl prop-2-en-1-yl phosphanium bromide,wln: 1u2pr&r&r &e PubChem CID: 197740 IUPAC Name: triphenyl(prop-2-enyl)phosphanium;bromide SMILES: [Br-].C=CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 197740 |
|---|---|
| CAS | 1560-54-9 |
| Molecular Weight (g/mol) | 383.27 |
| MDL Number | MFCD00011808 |
| SMILES | [Br-].C=CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | allyltriphenylphosphonium bromide,triphenyl allylphosphonium bromide,phosphonium, triphenyl-2-propenyl-, bromide,allyl triphenylphosphonium bromide,phosphonium, allyltriphenyl-, bromide,allyltriphenylphosphonium bromide tal,triphenyl prop-2-enyl phosphanium bromide,2-propenyltriphenylphosphonium bromide,triphenyl prop-2-en-1-yl phosphanium bromide,wln: 1u2pr&r&r &e |
| IUPAC Name | triphenyl(prop-2-enyl)phosphanium;bromide |
| InChI Key | FWYKRJUVEOBFGH-UHFFFAOYSA-M |
| Molecular Formula | C21H20BrP |
2,6-Dimethoxybenzoic acid, 99%
CAS: 1466-76-8 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002437 InChI Key: MBIZFBDREVRUHY-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 PubChem CID: 15109 IUPAC Name: 2,6-dimethoxybenzoic acid SMILES: COC1=CC=CC(OC)=C1C(O)=O
| PubChem CID | 15109 |
|---|---|
| CAS | 1466-76-8 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002437 |
| SMILES | COC1=CC=CC(OC)=C1C(O)=O |
| Synonym | benzoic acid, 2,6-dimethoxy,2,6-dimethoxy-benzoic acid,unii-g6b3p1lo43,2,6-dimethoxybenzoicacid,pubchem19743,acmc-1bwjj,intermediates-zcf02125,benzoic acid,6-dimethoxy,dsstox_cid_26999,dsstox_rid_82043 |
| IUPAC Name | 2,6-dimethoxybenzoic acid |
| InChI Key | MBIZFBDREVRUHY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Methyl Salicylate, NF, 98-102%, Spectrum™ Chemical
CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O
| CAS | 119-36-8 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| SMILES | COC(=O)C1=CC=CC=C1O |
| IUPAC Name | methyl 2-hydroxybenzoate |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Propylparaben, FCC, 99-100.5%, Spectrum™ Chemical
CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(O)C=C1
| CAS | 94-13-3 |
|---|---|
| Molecular Weight (g/mol) | 180.20 |
| SMILES | CCCOC(=O)C1=CC=C(O)C=C1 |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
LiChropur™ (S)-(+)-α-Methoxy-α-(trifluoromethyl)phenylacetyl chloride, 99.0%, MilliporeSigma™ Supelco™
CAS: 20445-33-4 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00067105 InChI Key: PAORVUMOXXAMPL-SECBINFHSA-N Synonym: (S)-(+)-MTPA-Cl; Mosher's acid chloride IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
| CAS | 20445-33-4 |
|---|---|
| Molecular Weight (g/mol) | 252.62 |
| MDL Number | MFCD00067105 |
| SMILES | CO[C@@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F |
| Synonym | (S)-(+)-MTPA-Cl; Mosher's acid chloride |
| IUPAC Name | (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride |
| InChI Key | PAORVUMOXXAMPL-SECBINFHSA-N |
| Molecular Formula | C10H8ClF3O2 |
| CAS | 646-06-0 |
|---|
Octisalate, USP, 95-105%, Spectrum™ Chemical
CAS: 118-60-5 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 InChI Key: FMRHJJZUHUTGKE-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-hydroxybenzoate SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O
| CAS | 118-60-5 |
|---|---|
| Molecular Weight (g/mol) | 250.34 |
| SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1O |
| IUPAC Name | 2-ethylhexyl 2-hydroxybenzoate |
| InChI Key | FMRHJJZUHUTGKE-UHFFFAOYNA-N |
| Molecular Formula | C15H22O3 |
1-Phenyl-2-propanol, 98%
CAS: 14898-87-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004540 InChI Key: WYTRYIUQUDTGSX-UHFFFAOYNA-N Synonym: 1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol PubChem CID: 94185 IUPAC Name: 1-phenylpropan-2-ol SMILES: CC(O)CC1=CC=CC=C1
| PubChem CID | 94185 |
|---|---|
| CAS | 14898-87-4 |
| Molecular Weight (g/mol) | 136.19 |
| MDL Number | MFCD00004540 |
| SMILES | CC(O)CC1=CC=CC=C1 |
| Synonym | 1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol |
| IUPAC Name | 1-phenylpropan-2-ol |
| InChI Key | WYTRYIUQUDTGSX-UHFFFAOYNA-N |
| Molecular Formula | C9H12O |
1-Eth-1-ynyl-4-propylbenzene, 97%, Thermo Scientific™
CAS: 62452-73-7 Molecular Formula: C11H12 Molecular Weight (g/mol): 144.217 MDL Number: MFCD00173886 InChI Key: UVFFOABHOIMLNB-UHFFFAOYSA-N Synonym: 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene PubChem CID: 2775133 IUPAC Name: 1-ethynyl-4-propylbenzene SMILES: CCCC1=CC=C(C=C1)C#C
| PubChem CID | 2775133 |
|---|---|
| CAS | 62452-73-7 |
| Molecular Weight (g/mol) | 144.217 |
| MDL Number | MFCD00173886 |
| SMILES | CCCC1=CC=C(C=C1)C#C |
| Synonym | 4-propylphenylacetylene,1-eth-1-ynyl-4-propylbenzene,4-n-propylphenylacetylene,1-ethynyl-4-propyl-benzene,benzene, 1-ethynyl-4-propyl,pubchem10973,4-n-propylphenyl ethine,4-propyl phenylacetylene,4-ethynyl-1-propylbenzene,4-propyl-1-ethynylbenzene |
| IUPAC Name | 1-ethynyl-4-propylbenzene |
| InChI Key | UVFFOABHOIMLNB-UHFFFAOYSA-N |
| Molecular Formula | C11H12 |