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CAS No.: | 126-54-5 |
---|---|
Name: | 2,4,8,10-Tetraoxaspiro[5.5]undecane |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C7H12O4 |
Molecular Weight: | 160.17 |
Synonyms: | 5,5'-Spirobi-1,3-dioxane;5,5'-Spirobi-m-dioxane;NSC 139455;NSC 49146;Pentaerythritol bisformal;Pentaerythritol cyclic diformal;Pentaerythritol diformal; |
EINECS: | 204-792-0 |
Density: | 1.2 g/cm3 |
Melting Point: | 48-52 °C |
Boiling Point: | 253.4 °C at 760 mmHg |
Flash Point: | 108 °C |
Solubility: | Solubility in water |
Appearance: | White crystalline mass |
Safety: | 24/25 |
PSA: | 36.92000 |
LogP: | -0.01860 |
Pentaerythritol
Dimethoxymethane
A
5,5-bis-hydroxymethyl-[1,3]dioxane
B
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 |
Pentaerythritol
Dimethoxymethane
A
2,4,8,10-tetraoxaspiro[5.5]undecane
B
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.; |
2,4,8,10-tetraoxaspiro[5.5]undecane
Diphenyl phosphorochloridite
tetraphenyl<4,4-bis(chloromethyl)-2,6-dioxaheptamethylene>bis-phosphonate
Conditions | Yield |
---|---|
With tin(IV) chloride for 3h; Heating; | 83.7% |
2,4,8,10-tetraoxaspiro[5.5]undecane
5,5-bis-acetoxymethyl-[1,3]dioxane
Conditions | Yield |
---|---|
With sulfuric acid; acetic anhydride |
2,4,8,10-tetraoxaspiro[5.5]undecane
sulfuric acid
acetic anhydride
5,5-bis-acetoxymethyl-[1,3]dioxane
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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%.
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%.
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