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| CAS No.: | 13494-10-5 |
|---|---|
| Name: | 2',3'-DIHYDROXYACETOPHENONE |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C8H8O3 |
| Molecular Weight: | 152.15 |
| Synonyms: | Acetophenone,2',3'-dihydroxy- (7CI,8CI);1-(2,3-Dihydroxyphenyl)ethanone;3-Acetyl-1,2-benzenediol;2',3'-Dihydroxyacetophenone; |
| Density: | 1.291g/cm3 |
| Melting Point: | 198-200℃ |
| Boiling Point: | 294 °C at 760 mmHg |
| Flash Point: | 145.9 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 57.53000 |
| LogP: | 1.30040 |
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- Total:35 Page 1 of 1 1
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Specification
The Ethanone,1-(2,3-dihydroxyphenyl)-, with CAS registry number 13494-10-5, has the systematic name of 1-(2,3-dihydroxyphenyl)ethanone. Besides this, it is also called 2',3'-Dihydroxyacetophenone. And the chemical formula of this chemical is C8H8O3.
Physical properties of Ethanone,1-(2,3-dihydroxyphenyl)-: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 14.32; (6)ACD/BCF (pH 7.4): 13.92; (7)ACD/KOC (pH 5.5): 233.86; (8)ACD/KOC (pH 7.4): 227.37; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 40.04 cm3; (15)Molar Volume: 117.8 cm3; (16)Polarizability: 15.87×10-24cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 145.9 °C; (20)Enthalpy of Vaporization: 55.5 kJ/mol; (21)Boiling Point: 294 °C at 760 mmHg; (22)Vapour Pressure: 0.000946 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(2,3-dihydroxyphenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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=C(c1cccc(O)c1O)C
(2)InChI: InChI=1/C8H8O3/c1-5(9)6-3-2-4-7(10)8(6)11/h2-4,10-11H,1H3
(3)InChIKey: HEJLFBLJYFSKCE-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H8O3/c1-5(9)6-3-2-4-7(10)8(6)11/h2-4,10-11H,1H3
(5)Std. InChIKey: HEJLFBLJYFSKCE-UHFFFAOYSA-N