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| CAS No.: | 15075-50-0 |
|---|---|
| Name: | Allyldiglycol |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C7H14O3 |
| Molecular Weight: | 146.186 |
| Synonyms: | Dimethyleneglycolmonoallylether; |
| EINECS: | 239-131-5 |
| Density: | 0.978 g/cm3 |
| Boiling Point: | 213.1 °C at 760 mmHg |
| Flash Point: | 82.7 °C |
| Hazard Symbols: |
|
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 38.69000 |
| LogP: | 0.19790 |
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- 1352078-72-8
Methyl (2-allyloxy-ethoxy)-acetate
- 15075-50-0
2-(2-allyloxyethoxy)ethanol
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 1h; | 99% |
| Conditions | Yield |
|---|---|
| With copper In N,N-dimethyl-formamide Heating; | 92% |
| With sodium at 100℃; for 2h; | 84% |
| With sodium hydroxide In tetrahydrofuran for 12h; Heating / reflux; | 66% |
- 106-95-6
allyl bromide
A
- 15075-50-0
2-(2-allyloxyethoxy)ethanol
| Conditions | Yield |
|---|---|
| In diethylene glycol | A 88% B n/a |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In 1,4-dioxane at 50 - 55℃; for 6h; Williamson synthesis; | 82.5% |
| With sodium hydroxide In 1,4-dioxane at 50 - 55℃; for 6h; | 82.5% |
| Stage #1: diethylene glycol With sodium hydroxide In 1,4-dioxane at 55℃; for 1h; Stage #2: 3-chloroprop-1-ene In 1,4-dioxane for 6h; Heating; | 49.6% |
| With sodium hydroxide In 1,4-dioxane |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tetrahydrofuran at 20℃; for 25h; | 70% |
- 106-95-6
allyl bromide
- 15075-50-0
2-(2-allyloxyethoxy)ethanol
| Conditions | Yield |
|---|---|
| With diethylene glycol |
- 107-05-1
3-chloroprop-1-ene
- 15075-50-0
2-(2-allyloxyethoxy)ethanol
| Conditions | Yield |
|---|---|
| With diethylene glycol |
- 727986-30-3
2-(2-(2-(allyloxy)ethoxy)ethoxy)tetrahydro-2H-pyran
- 15075-50-0
2-(2-allyloxyethoxy)ethanol
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; water Heating; | 150 g |
- 111-45-5
ethylene glycol monoallyl ether
- 15075-50-0
2-(2-allyloxyethoxy)ethanol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: sodium hydride / tetrahydrofuran / 1 h / 20 °C / Reflux 1.2: 0.25 h / 0 °C 2.1: lithium aluminium tetrahydride / tetrahydrofuran / 1 h / 0 °C View Scheme |
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Specification
The Allyldiglycol, with the CAS registry number of 15075-50-0, is also known as Dimethyleneglycolmonoallylether. It belongs to the product category of Monomer. Its EINECS registry number is 239-131-5. This chemical's molecular formula is C7H14O3 and molecular weight is 146.18. What's more, both its systematic name and IUPAC name are the same which is called 2-(2-Prop-2-enoxyethoxy)ethanol. As a chemical, it is irritating to eyes. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
Physical properties about the Allyldiglycol are: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.22; (8)ACD/KOC (pH 7.4): 17.22; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 39.22 cm3; (15)Molar Volume: 149.4 cm3; (16)Surface Tension: 32.1 dyne/cm; (17)Density: 0.978 g/cm3; (18)Flash Point: 82.7 °C; (19)Enthalpy of Vaporization: 52.27 kJ/mol; (20)Boiling Point: 213.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0372 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of 3-Bromo-propene with 2,2'-Oxy-bis-ethanol at heating. The reaction needs reagent Copper powder and solvent Dimethylformamide. The yield is about 92 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce Cyano-acetic acid 2-(2-allyloxy-ethoxy)-ethyl ester at heating. This reaction needs reagents TsOH and Cyanoacetic acid. Meanwhile, it needs solvent Benzene. The yield is about 65 %.
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You can still convert the following datas into molecular structure:
(1) SMILES:O(C\C=C)CCOCCO
(2) InChI:InChI=1/C7H14O3/c1-2-4-9-6-7-10-5-3-8/h2,8H,1,3-7H2
(3) InChIKey:DIOZVWSHACHNRT-UHFFFAOYAT