CAS Number1075-06-5
Synonymsphenylglyoxyl monohydrate; 2,2-dihydroxy-1-phenyl-ethanon; 2,2-DIHYDROXY-1-PHENYL-ETHANONE; MFCD00149499; EINECS 214-036-1; PHENYLGLYOXAL; phenylglyoxal hemiacetal; 2,2-dihydroxy-1-phenylethan-1-one; BENZOYLFORMALDEHYDE MONOHYDRATE; PHENYLGLYOXAL HYDRATE; Phenylglyoxal Monohydrate
Molecular FormulaC6H5COCHO · xH2O
Molecular Weight134.13 (anhydrous basis)
Purity97%
Density1.307 g/cm3
Boiling Point142 °C/125 mmHg (lit.)
Melting Point76-79 °C (lit.)
Appearancepowder
EINECS214-036-1
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1075-06-5 |
| Catalog No. | 2A-9091745 |
| Chinese Name | 苯甲酰甲醛水合物 |
| Synonyms | phenylglyoxyl monohydrate; 2,2-dihydroxy-1-phenyl-ethanon; 2,2-DIHYDROXY-1-PHENYL-ETHANONE; MFCD00149499; EINECS 214-036-1; PHENYLGLYOXAL; phenylglyoxal hemiacetal; 2,2-dihydroxy-1-phenylethan-1-one; BENZOYLFORMALDEHYDE MONOHYDRATE; PHENYLGLYOXAL HYDRATE; Phenylglyoxal Monohydrate |
| Molecular Formula | C6H5COCHO · xH2O |
| Molecular Weight | 134.13 (anhydrous basis) |
| Purity | 97 |
| Density | 1.307 g/cm3 |
| Boiling Point | 142 °C/125 mmHg (lit.) |
| Melting Point | 76-79 °C (lit.) |
| Appearance | powder |
| Storage Condition | Keep container sealed and store in a cool, dry pla |
| Application | 2,2-Dihydroxy-1-phenylethan-1-one (compound 2d) is an intermediate in pharmaceutical synthesis and has antioxidant activity. |
| EINECS | 214-036-1 |
| HTC | 2914400090 |
| PubChem ID | 24848526 |
| MDL Number | MFCD00149499 |
| SMILES | [H]O[H].[H]C(=O)C(=O)c1ccccc1 |
| InChI | 1S/C8H6O2.H2O/c9-6-8(10)7-4-2-1-3-5-7;/h1-6H;1H2 |
| InChI Key | YQBLQKZERMAVDO-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | transportation |
| MSDS | msds/91745_1_1075_06_5.pdf |
| Bioactivity | 2,2-Dihydroxy-1-phenylethan-1-one (compound 2d) is an intermediate of pharmaceutical synthesis with antioxidant property[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease References [1]. Tania Kundu, et al. Expeditious and eco-friendly synthesis of new multifunctionalized pyrrole derivatives and evaluation of their antioxidant property. Bioorg Chem. 2020 May;98:103734. Chemical & Physical Properties Density 1.307 g/cm3 Boiling Point 142 °C125 mm Hg(lit.) Melting Point 76-79 °C(lit.) Molecular Formula C8H8O3 Molecular Weight 152.14700 Flash Point 142°C/125mm Exact Mass 152.04700 PSA 43.37000 LogP 1.00390 Vapour Pressure 0.00469mmHg at 25°C Index of Refraction 1.59 InChIKey NBIBDIKAOBCFJN-UHFFFAOYSA-N SMILES O=C(c1ccccc1)C(O)O Storage condition 2-8°C |
| Use of | 2,2-Dihydroxy-1-phenylethan-1-one (compound 2d) is an intermediate of pharmaceutical synthesis with antioxidant property[1]. Properties Name phenylglyoxal monohydrate Synonym More Synonyms 2,2-Dihydroxy-1-phenylethan-1-one Biological Activity Description 2,2-Dihydroxy-1-phenylethan-1-one (compound 2d) is an intermediate of pharmaceutical synthesis with antioxidant property[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease References [1]. Tania Kundu, et al. Expeditious and eco-friendly synthesis of new multifunctionalized pyrrole derivatives and evaluation of their antioxidant property. Bioorg Chem. 2020 May;98:103734. Chemical & Physical Properties Molecular Formula C8H8O3 Exact Mass 152.04700 PSA 43.37000 LogP 1.00390 Index of Refraction 1.59 InChIKey NBIBDIKAOBCFJN-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | none |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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