-
Name
4-HYDROXYPHENYLGLYOXAL HYDRATE
- EINECS
- CAS No. 197447-05-5
- Article Data6
- CAS DataBase
- Density
- Solubility
- Melting Point 108-110 °C
- Formula C8H8O4
- Boiling Point 389.8 °C at 760 mmHg
- Molecular Weight 168.149
- Flash Point 189.5 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms benzeneacetaldehyde, 4-hydroxy-α-oxo-, hydrate (1:1);(4-Hydroxyphenyl)(oxo)acetaldehyde hydrate (1:1);
- PSA 63.60000
- LogP 0.70950
Ethanone,2,2-dihydroxy-1-(4-hydroxyphenyl)- Specification
The CAS register number of Ethanone,2,2-dihydroxy-1-(4-hydroxyphenyl)- is 197447-05-5. It also can be called as benzeneacetaldehyde, 4-hydroxy-α-oxo-, hydrate (1:1) and the systematic name about this chemical is (4-hydroxyphenyl)(oxo)acetaldehyde hydrate. The molecular formula about this chemical is C8H8O4 and the molecular weight is 168.15.
Physical properties about Ethanone,2,2-dihydroxy-1-(4-hydroxyphenyl)- are: (1)H bond acceptors: 4; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 54.37Å2; (5)Flash Point: 189.5 °C; (6)Enthalpy of Vaporization: 67.41 kJ/mol; (7)Boiling Point: 389.8 °C at 760 mmHg; (8)Vapour Pressure: 8.97E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O.O=C(C=O)c1ccc(O)cc1
(2)InChI: InChI=1/C8H6O3.H2O/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-5,10H;1H2
(3)InChIKey: IKKDQJGLFIXJKP-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H6O3.H2O/c9-5-8(11)6-1-3-7(10)4-2-6;/h1-5,10H;1H2
(5)Std. InChIKey: IKKDQJGLFIXJKP-UHFFFAOYSA-N
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