Phenylglyoxylic acid
Phenylglyoxylic acid structure
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Common Name | Phenylglyoxylic acid | ||
|---|---|---|---|---|
| CAS Number | 611-73-4 | Molecular Weight | 150.131 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 258.6±13.0 °C at 760 mmHg | |
| Molecular Formula | C8H6O3 | Melting Point | 62-65 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 124.4±16.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of Phenylglyoxylic acidPhenylglyoxylic acid (Benzoylformic acid) is a metabolite of ethylbenzene and styrene (EB/S) and can be used as a biomarker of exposure to EB/S in human[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | phenylglyoxylic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Phenylglyoxylic acid (Benzoylformic acid) is a metabolite of ethylbenzene and styrene (EB/S) and can be used as a biomarker of exposure to EB/S in human[1]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 258.6±13.0 °C at 760 mmHg |
| Melting Point | 62-65 °C(lit.) |
| Molecular Formula | C8H6O3 |
| Molecular Weight | 150.131 |
| Flash Point | 124.4±16.3 °C |
| Exact Mass | 150.031693 |
| PSA | 54.37000 |
| LogP | 0.69 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.569 |
| InChIKey | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
| SMILES | O=C(O)C(=O)c1ccccc1 |
| Storage condition | Refrigerator |
| Water Solubility | methanol: 0.1 g/mL, clear |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S28-S36-S28A-S24-S22 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | DA1480000 |
| HS Code | 29183000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:611-71-2
CAS#:93-56-1
CAS#:1603-79-8
CAS#:104-53-0
CAS#:122-78-1
CAS#:56485-04-2
CAS#:613-90-1
CAS#:1074-12-0
CAS#:98-86-2
CAS#:15206-55-0![ALPHA-OXO-N-[(R)-1-PHENYLETHYL]PHENYLACETAMIDE structure](https://image.chemsrc.com/caspic/427/10549-15-2.png)
CAS#:10549-15-2
CAS#:5424-19-1
CAS#:3342-78-7![1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole structure](https://image.chemsrc.com/caspic/484/3790-45-2.png)
CAS#:3790-45-2
CAS#:3966-30-1
CAS#:103-82-2
CAS#:60-12-8
CAS#:93-89-0
CAS#:65-85-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918300090 |
|---|---|
| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Development of a multi-residue method in a fetal matrix: analysis of meconium.
Anal. Bioanal. Chem 406(30) , 7785-97, (2014) Meconium is the earliest stool of newborns. It is a complex matrix that reflects the degree of fetal exposure to environmental pollutants. To investigate exposure to xenobiotics, an analytical method ... |
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Development of liquid chromatography methods coupled to mass spectrometry for the analysis of substances with a wide variety of polarity in meconium.
Talanta 138 , 231-9, (2015) Meconium is the first fecal excretion of newborns. This complex accumulative matrix allows assessing the exposure of the fetus to xenobiotics during the last 6 months of pregnancy. To determine the ev... |
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Copper/alpha-ketocarboxylate chemistry with supporting peralkylated diamines: reactivity of copper(I) complexes and dicopper-oxygen intermediates.
Inorg. Chem. 49(7) , 3531-9, (2010) To further understand copper-promoted oxidation reactions, the Cu(I) complexes LCuX (L = N,N'-di-tert-butyl-N,N'-dimethylethylenediamine; X = benzoylformate (BF) or p-nitro-benzoylformate) were synthe... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of recombinant His6-tagged CtBP2 (31 to 384 residues) (unknown origin) deh...
Source: ChEMBL
Target: C-terminal-binding protein 2
External Id: CHEMBL3804623
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Name: Inhibition of glycolic acid oxidase (unknown origin) assessed as enzyme-mediated redu...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3252910
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Name: Percent Stimulation of pyruvate oxidation in rat diaphragm was measured at 2 mM conce...
Source: ChEMBL
Target: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
External Id: CHEMBL794031
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Name: Pyruvate dehydrogenase active/ Pyruvate dehydrogenase total was measured by sc admini...
Source: ChEMBL
Target: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
External Id: CHEMBL790247
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: Inhibition of Staphylococcus aureus pyruvate carboxylase expressed in Escherichia col...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4396745
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Name: Tested for pyruvate oxidation in rat diaphragm, measured as % conversion of [14C]pyru...
Source: ChEMBL
Target: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
External Id: CHEMBL792342
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Name: Pyruvate dehydrogenase activity in vivo was measured following subcutaneous administr...
Source: ChEMBL
Target: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
External Id: CHEMBL790250
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Name: Tested for pyruvate oxidation in rat diaphragm, measured as % conversion of [14C]pyru...
Source: ChEMBL
Target: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial
External Id: CHEMBL794017
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Oxo(phenyl)acetic acid |
| α-Ketophenylacetic acid |
| Benzeneacetic acid, α-oxo- (9CI) |
| α-Oxobenzeneacetic acid |
| 2-oxo-2-phenylacetic acid |
| Phenylgloxylic acid |
| phenylglyoxylate |
| UNII-2PZL5A0W0M |
| Oxo-phenyl-acetic acid |
| benzeneglyoxylic acid |
| Oxophenylacetic acid |
| Benzoylformic acid |
| Phenylglyoxylic acid |
| a-Oxobenzeneacetic Acid |
| a-Ketophenylacetic Acid |
| Benzoyl formoic acid |
| phenylglyoxalic acid |
| EINECS 210-278-7 |
| 2-phenylethanoic acid |
| α-Oxophenylacetic acid |
| Benzoylformate |
| Glyoxylic acid, phenyl- (8CI) |
| MFCD00002575 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of phenylglyoxylic acid? |
| A: Molecular weight of phenylglyoxylic acid is 150.131. |
| Q: What are the upstream materials of phenylglyoxylic acid? |
| A: Related upstream materials(CAS) of phenylglyoxylic acid: 611-71-2;93-56-1;1603-79-8;104-53-0;122-78-1;56485-04-2;613-90-1;1074-12-0;98-86-2;15206-55-0. |
| Q: What is the boiling point of phenylglyoxylic acid? |
| A: Boiling point of phenylglyoxylic acid is 258.6±13.0 °C at 760 mmHg. |
| Q: How is the water solubility of phenylglyoxylic acid? |
| A: Water solubility of phenylglyoxylic acid: methanol: 0.1 g/mL, clear. |
| Q: What is the SMILES notation of phenylglyoxylic acid? |
| A: SMILES notation of phenylglyoxylic acid is O=C(O)C(=O)c1ccccc1. |
| Q: What is the melting point of phenylglyoxylic acid? |
| A: Melting point of phenylglyoxylic acid is 62-65 °C(lit.). |
| Q: What is the LogP of phenylglyoxylic acid? |
| A: LogP of phenylglyoxylic acid is 0.69. |
| Q: What is the molecular formula of phenylglyoxylic acid? |
| A: Molecular formula of phenylglyoxylic acid is C8H6O3. |
| Q: What is the safety information for phenylglyoxylic acid? |
| A: Safety information for phenylglyoxylic acid: S26-S28-S36-S28A-S24-S22. |
| Q: What is the CAS number of phenylglyoxylic acid? |
| A: CAS number of phenylglyoxylic acid is 611-73-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |