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Cas Database |
| Name |
2,4,8,10-Tetraoxaspiro[5.5]undecane |
EINECS | 204-792-0 |
| CAS No. | 126-54-5 | Density | 1.2 g/cm3 |
| PSA | 36.92000 | LogP | -0.01860 |
| Solubility | Solubility in water | Melting Point |
48-52 °C |
| Formula | C7H12O4 | Boiling Point | 253.4 °C at 760 mmHg |
| Molecular Weight | 160.17 | Flash Point | 108 °C |
| Transport Information | N/A | Appearance | White crystalline mass |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5,5'-Spirobi-1,3-dioxane;5,5'-Spirobi-m-dioxane;NSC 139455;NSC 49146;Pentaerythritol bisformal;Pentaerythritol cyclic diformal;Pentaerythritol diformal; |
Article Data | 12 |
2,4,8,10-Tetraoxaspiro[5.5]undecane Synthetic route
- 115-77-5
Pentaerythritol
- 109-87-5
Dimethoxymethane
A
- 6228-25-7
5,5-bis-hydroxymethyl-[1,3]dioxane
B
- 126-54-5
2,4,8,10-tetraoxaspiro[5.5]undecane
| Conditions | Yield |
|---|---|
| Mechanism; | A 85% B n/a |
| 1.) LiBr, TsOH, 20 deg C, 17 h, 2.) MeOH, HCl, reflux, 2 h; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| With water; boric acid at 100℃; for 72h; pH=3; | 0.4% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 115-77-5
Pentaerythritol
- 109-87-5
Dimethoxymethane
A
- 126-54-5
2,4,8,10-tetraoxaspiro[5.5]undecane
B
- 115430-91-6
1,3-Bis-methoxymethoxy-2,2-bis-methoxymethoxymethyl-propane
| Conditions | Yield |
|---|---|
| Stage #1: ethyl acetate; (CH2O)x With sulfuric acid at 20℃; for 24h; Stage #2: at 80℃; for 7h; Further stages.; |
- 126-54-5
2,4,8,10-tetraoxaspiro[5.5]undecane
- 5382-00-3
Diphenyl phosphorochloridite
- 74858-19-8
tetraphenyl<4,4-bis(chloromethyl)-2,6-dioxaheptamethylene>bis-phosphonate
| Conditions | Yield |
|---|---|
| With tin(IV) chloride for 3h; Heating; | 83.7% |
- 126-54-5
2,4,8,10-tetraoxaspiro[5.5]undecane
- 92016-46-1
5,5-bis-acetoxymethyl-[1,3]dioxane
| Conditions | Yield |
|---|---|
| With sulfuric acid; acetic anhydride |
- 126-54-5
2,4,8,10-tetraoxaspiro[5.5]undecane
- 7664-93-9
sulfuric acid
- 108-24-7
acetic anhydride
- 92016-46-1
5,5-bis-acetoxymethyl-[1,3]dioxane
2,4,8,10-Tetraoxaspiro[5.5]undecane Specification
Both the product name and IUPAC name of this chemical are the same which is called 2,4,8,10-Tetraoxaspiro[5.5]undecane, with the CAS registry number 126-54-5, is also known as Pentaerythritol bisformal. Its EINECS registry number is 204-792-0. This chemical's molecular formula is C7H12O4 and molecular weight is 160.17. When you are using this chemical, please be cautious about it. You must avoid contact with skin and eyes.
Physical properties of 2,4,8,10-Tetraoxaspiro[5.5]undecane: (1)ACD/LogP: -0.66; (2)ACD/LogD (pH 5.5): -0.66; (3)ACD/LogD (pH 7.4): -0.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.4; (7)ACD/KOC (pH 7.4): 10.4; (8)#H bond acceptors: 4; (9)Index of Refraction: 1.474; (10)Molar Refractivity: 37.34 cm3; (11)Molar Volume: 132.7 cm3; (12)Surface Tension: 37.7 dyne/cm; (13)Density: 1.2 g/cm3; (14)Flash Point: 108.3 °C; (15)Enthalpy of Vaporization: 47.1 kJ/mol; (16)Boiling Point: 253.4 °C at 760 mmHg; (17)Vapour Pressure: 0.0292 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,2-bis-hydroxymethyl-propane-1,3-diol and dimethoxymethane. The yield is about 85%.
![2,4,8,10-Tetraoxaspiro[5.5]undecane can be prepared by 2,2-bis-hydroxymethyl-propane-1,3-diol and dimethoxymethane](/UserFilesUpload/Preparation of 2,4,8,10-Tetraoxaspiro[5_5]undecane.png)
Uses of 2,4,8,10-Tetraoxaspiro[5.5]undecane: it can be used to produce tetraphenyl(4,4-bis(chloromethyl)-2,6-dioxaheptamethylene)bis-phosphonate by heating. This reaction will need reagent SnCl4 with reaction time of 3 hours. The yield is about 83.7%.
![2,4,8,10-Tetraoxaspiro[5.5]undecane can be used to produce tetraphenyl(4,4-bis(chloromethyl)-2,6-dioxaheptamethylene)bis-phosphonate by heating](/UserFilesUpload/Uses of 2,4,8,10-Tetraoxaspiro[5_5]undecane.png)
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2(COCO1)COCOC2
(2)InChI: InChI=1S/C7H12O4/c1-7(2-9-5-8-1)3-10-6-11-4-7/h1-6H2
(3)InChIKey: BGCSUUSPRCDKBQ-UHFFFAOYSA-N
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