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| CAS No.: | 5187-23-5 |
|---|---|
| Name: | 5-Ethyl-1,3-dioxane-5-methanol |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H14O3 |
| Molecular Weight: | 146.186 |
| Synonyms: | m-Dioxane-5-methanol,5-ethyl- (7CI,8CI);(5-Ethyl[1,3]dioxan-5-yl)methanol;5-(Hydroxymethyl)-5-ethyl-1,3-dioxane;5-Ethyl-1,3-dioxan-5-methanol;5-Ethyl-1,3-dioxane-5-methanol;5-Ethyl-5-(hydroxymethyl)-1,3-dioxane;5-Ethyl-m-dioxane-5-methanol;Formaldehyde mono(1,1,1-trimethylolpropane)acetal; |
| EINECS: | 225-967-8 |
| Density: | 1.09 g/mL at 25 °C(lit.) |
| Boiling Point: | 104-105 °C5 mm Hg(lit.) |
| Flash Point: | >230 °F |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 38.69000 |
| LogP: | 0.37940 |
- 81281-59-67-Benzylideneaminotheophylline
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- 99170-93-1N-Methyl-2-oxazolamine
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
| Conditions | Yield |
|---|---|
| With cationite KU-2 In benzene Reflux; Dean-Stark; | 97% |
| With toluene-4-sulfonic acid In toluene for 4h; Heating; | 95% |
| With toluene-4-sulfonic acid In toluene for 4h; Heating; | 95% |
| With toluene-4-sulfonic acid In tetrahydrofuran for 3h; Reflux; | 93% |
| With toluene-4-sulfonic acid |
- 109-87-5
Dimethoxymethane
- 77-99-6
1,1,1-tri(hydroxymethyl)propane
- 5187-23-5
5-ethyl-1,3-dioxane-5-methanol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid; lithium bromide In dichloromethane at 20℃; for 0.416667h; | 88% |
A
- 77-99-6
1,1,1-tri(hydroxymethyl)propane
B
- 23235-61-2
3,3,7,7-tetra(hydroxymethyl)-5-oxanonane
C
- 5187-23-5
5-ethyl-1,3-dioxane-5-methanol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In water at 90℃; for 6h; | A n/a B 5.9 g C n/a |
| With toluene-4-sulfonic acid In water at 90℃; for 6h; | A n/a B 15.2 g C n/a |
- 5187-23-5
5-ethyl-1,3-dioxane-5-methanol
- 292638-85-8
acrylic acid methyl ester
| Conditions | Yield |
|---|---|
| With dioctyltin(IV) oxide; 4-methoxy-phenol In hexane at 75 - 90℃; | 94.1% |
| With dioctyltin(IV) oxide; 4-methoxy-phenol In hexane at 75 - 90℃; under 760.051 Torr; for 25h; | 88% |
| Conditions | Yield |
|---|---|
| With triethylamine In chloroform | 90% |
| Conditions | Yield |
|---|---|
| With dimanganese decacarbonyl at 180℃; for 1h; Autoclave; | 84% |
- 5187-23-5
5-ethyl-1,3-dioxane-5-methanol
- 74-86-2
acetylene
- 1159490-98-8
5-ethyl-5-vinyloxymethyl-1,3-dioxane
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 110 - 125℃; under 9120.61 Torr; for 2h; | 80% |
| Conditions | Yield |
|---|---|
| With methanesulfonic acid; hydroquinone In hexane at 90℃; under 760.051 Torr; for 15h; | 60% |
| Conditions | Yield |
|---|---|
| In 1,4-dioxane Heating; | 48% |
| Conditions | Yield |
|---|---|
| With triethylamine In chloroform for 0.5h; | |
| With triethylamine In chloroform |
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Specification
This chemical is called 5-Ethyl-1,3-dioxane-5-methanol, and its IUPAC name is (5-ethyl-1,3-dioxan-5-yl)methanol. With the molecular formula of C7H14O3, its molecular weight is 146.18. The CAS registry number of this chemical is 5187-23-5, and its product categories are Alcohols; C7 to C8; Oxygen Compounds. In addition, this chemical should be stored sealed in the cool and dry plcace.
Other characteristics of the 5-Ethyl-1,3-dioxane-5-methanol can be summarised as followings: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.6; (8)ACD/KOC (pH 7.4): 16.6; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 37.11 cm3; (15)Molar Volume: 143.1 cm3; (16)Polarizability: 14.71×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Flash Point: 101.7 °C; (19)Enthalpy of Vaporization: 52.78 kJ/mol; (20)Boiling Point: 217.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0284 mmHg at 25°C.
Production method of this chemical: The 5-Ethyl-1,3-dioxane-5-methanol could be obtained the reactants of dimethoxymethane and 2-ethyl-2-hydroxymethyl-propane-1,3-diol , the reagents of LiBr, TsOH, and the solvent of CH2Cl2. The yield is 88 %. In addition, this reaction should be taken for 25 minutes at the temperature of 20 °C.
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Uses of this chemical: The 5-Ethyl-1,3-dioxane-5-methanol could react with acetyl chloride, and obtain the acetic acid 5-ethyl-[1,3]dioxan-5-ylmethyl ester. This reaction needs the reagent of triethylamine, and the solvent of CHCl3. The yield is 90 %.
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You can still convert the following datas into molecular structure:
1.SMILES: OCC1(CC)COCOC1
2.InChI: InChI=1/C7H14O3/c1-2-7(3-8)4-9-6-10-5-7/h8H,2-6H2,1H3
3.InChIKey: BGFBWRWYROQISE-UHFFFAOYAM
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | > 2gm/kg (2000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | International Journal of Toxicology. Vol. 16(Suppl, |