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Cas Database |
| Name |
Ethanone,1,1'-[(2-hydroxy-1,3-propanediyl)bis[oxy(6-hydroxy-2,1-phenylene)]]bis- |
EINECS | 240-302-1 |
| CAS No. | 16150-44-0 | Density | 1.321g/cm3 |
| PSA | 113.29000 | LogP | 2.32170 |
| Solubility | N/A | Melting Point |
168℃ (chloroform hexane ) |
| Formula | C19H20O7 | Boiling Point | 574.4 °C at 760 mmHg |
| Molecular Weight | 360.364 | Flash Point | 205.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetophenone,2',2'''-[(2-hydroxytrimethylene)dioxy]bis[6'-hydroxy- (8CI);1,3-Bis(2-acetyl-3-hydroxyphenoxy)-2-hydroxypropane;1,3-Bis(2-acetyl-3-hydroxyphenoxy)-2-propanol; |
Article Data | 9 |
Ethanone,1,1'-[(2-hydroxy-1,3-propanediyl)bis[oxy(6-hydroxy-2,1-phenylene)]]bis- Synthetic route
- 699-83-2
2,6-dihydroxylacetophenone
- 16130-28-2
1-(2-acetyl-3-hydroxyphenoxy)-2,3-epoxypropane
- 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol for 24h; Heating; | 75% |
- 15826-37-6
disodium cromoglicate
- 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)
| Conditions | Yield |
|---|---|
| With sodium hydroxide for 0.333333h; Heating; | 59.7% |
| With potassium hydroxide In water for 2h; Reflux; |
- 699-83-2
2,6-dihydroxylacetophenone
- 106-89-8
epichlorohydrin
- 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water; isopropyl alcohol for 48h; Heating; | 37% |
| With potassium hydroxide | |
| With potassium hydroxide In water; isopropyl alcohol for 48h; Heating; |
- 699-83-2
2,6-dihydroxylacetophenone
- 96-21-9
1,3-dibromo-2-hydroxypropane
- 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)
| Conditions | Yield |
|---|---|
| With potassium carbonate |
- 699-83-2
2,6-dihydroxylacetophenone
- 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 24 percent / KOH / H2O / 48 h / Ambient temperature 2: 75 percent / NaOH / ethanol / 24 h / Heating View Scheme | |
| Multi-step reaction with 3 steps 1: 33 percent / KOH / H2O / 48 h / Ambient temperature 2: 75 percent / KOH / H2O / 2 h / Ambient temperature 3: 75 percent / NaOH / ethanol / 24 h / Heating View Scheme |
- 16130-17-9
1-(2-acetyl-3-hydroxyphenoxy)-3-chloro-2-propanol
- 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 75 percent / KOH / H2O / 2 h / Ambient temperature 2: 75 percent / NaOH / ethanol / 24 h / Heating View Scheme |
- 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)
- 591-31-1
3-methoxy-benzaldehyde
- 146138-43-4
(E)-1-[2-Hydroxy-6-(2-hydroxy-3-{3-hydroxy-2-[(E)-3-(3-methoxy-phenyl)-acryloyl]-phenoxy}-propoxy)-phenyl]-3-(3-methoxy-phenyl)-propenone
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol for 48h; Ambient temperature; | 84% |
- 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)
- 100-52-7
benzaldehyde
- 146138-42-3
(E)-1-[2-Hydroxy-6-(2-hydroxy-3-{3-hydroxy-2-[(E)-(3-phenyl-acryloyl)]-phenoxy}-propoxy)-phenyl]-3-phenyl-propenone
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol for 48h; Ambient temperature; | 81% |
- 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)
- 123-11-5
4-methoxy-benzaldehyde
- 146138-44-5
(E)-1-[2-Hydroxy-6-(2-hydroxy-3-{3-hydroxy-2-[(E)-3-(4-methoxy-phenyl)-acryloyl]-phenoxy}-propoxy)-phenyl]-3-(4-methoxy-phenyl)-propenone
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol for 48h; Ambient temperature; | 78% |
- 16150-44-0
(1-{2-[3-(2-acetyl-3-hydroxy-phenoxy)-2-hydroxypropoxy]-6-hydroxy-phenyl}-ethanone)
- 105-36-2
ethyl bromoacetate
- 112489-28-8
1,3-bis(2-acetyl-3-carbethoxymethoxyphenoxy)-2-propanol
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide for 3h; Ambient temperature; | 75% |
Ethanone,1,1'-[(2-hydroxy-1,3-propanediyl)bis[oxy(6-hydroxy-2,1-phenylene)]]bis- Specification
The Ethanone,1,1'-[(2-hydroxy-1,3-propanediyl)bis[oxy(6-hydroxy-2,1-phenylene)]]bis-, with CAS registry number 16150-44-0, has the systematic name of 1,1'-{(2-hydroxypropane-1,3-diyl)bis[oxy(6-hydroxybenzene-2,1-diyl)]}diethanone. And the chemical formula of this chemical is C19H20O7. What's more, its EINECS is 240-302-1.
Physical properties of Ethanone,1,1'-[(2-hydroxy-1,3-propanediyl)bis[oxy(6-hydroxy-2,1-phenylene)]]bis-: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.39; (5)ACD/BCF (pH 5.5): 224.59; (6)ACD/BCF (pH 7.4): 222.54; (7)ACD/KOC (pH 5.5): 1677.71; (8)ACD/KOC (pH 7.4): 1662.37; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 80.29 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 93.75 cm3; (15)Molar Volume: 272.6 cm3; (16)Polarizability: 37.16×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.321 g/cm3; (19)Flash Point: 205.3 °C; (20)Enthalpy of Vaporization: 90.53 kJ/mol; (21)Boiling Point: 574.4 °C at 760 mmHg; (22)Vapour Pressure: 4.92E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2c(O)cccc2OCC(O)COc1cccc(O)c1C(=O)C)C
(2)InChI: InChI=1/C19H20O7/c1-11(20)18-14(23)5-3-7-16(18)25-9-13(22)10-26-17-8-4-6-15(24)19(17)12(2)21/h3-8,13,22-24H,9-10H2,1-2H3
(3)InChIKey: RUOPAUDVYRHXDB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C19H20O7/c1-11(20)18-14(23)5-3-7-16(18)25-9-13(22)10-26-17-8-4-6-15(24)19(17)12(2)21/h3-8,13,22-24H,9-10H2,1-2H3
(5)Std. InChIKey: RUOPAUDVYRHXDB-UHFFFAOYSA-N
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