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CAS No.: | 110-98-5 |
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Name: | 1,1'-Oxydi-2-propanol |
Molecular Structure: | |
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Formula: | C6H14O3 |
Molecular Weight: | 134.175 |
Synonyms: | 2-Propanol,1,1'-oxydi- (6CI,7CI,8CI);1,1'-Dimethyldiethylene glycol;Bis(2-hydroxypropyl) ether;NSC 8688; |
EINECS: | 203-821-4 |
Density: | 1.034 g/cm3 |
Melting Point: | 46 - 48oC |
Boiling Point: | 230.5 °C at 760 mmHg |
Flash Point: | 137.8 °C |
Solubility: | MISCIBLE |
Appearance: | Colorless, slightly viscous liquid. Practically no odor. |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 49.69000 |
LogP: | -0.23540 |
Conditions | Yield |
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at 117 - 118℃; |
methyloxirane
1,1'-oxydipropan-2-ol
Conditions | Yield |
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With sodium hydroxide |
methyloxirane
A
1,1'-oxydipropan-2-ol
Conditions | Yield |
---|---|
at 117 - 118℃; |
1,1'-oxydipropan-2-ol
Conditions | Yield |
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With potassium hydroxide at 117 - 119℃; levorotatory β.β'-dioxy-dipropyl ether; | |
With (-)-propane-1,2-diol at 117 - 119℃; levorotatory β.β'-dioxy-dipropyl ether; |
Conditions | Yield |
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ohne Kondensationsmittel; |
1,1'-oxydipropan-2-ol
Conditions | Yield |
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With (-)-propane-1,2-diol; sulfuric acid levorotatory β.β'-dioxy-dipropyl ether; |
methyloxirane
1,1'-oxydipropan-2-ol
Conditions | Yield |
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at 144℃; |
Conditions | Yield |
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With amberlyst 36Dry at 130℃; | 13 %Chromat. |
Conditions | Yield |
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With hydroquinone In cyclohexane; toluene at 160℃; for 3h; Temperature; Inert atmosphere; | 89% |
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The 1,1'-Oxydi-2-propanol is an organic compound with the formula C6H14O3. The IUPAC name of this chemical is 1-(2-hydroxypropoxy)propan-2-ol. With the CAS registry number 110-98-5, it is also named as Di(propylene glycol) . The product's classification code is Skin / Eye Irritant. Besides, it should be stored in a cool and well-ventilated place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.82; (2)ACD/LogD (pH 5.5): -0.82; (3)ACD/LogD (pH 7.4): -0.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.55; (7)ACD/KOC (pH 7.4): 8.55; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 27.69 Å2; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 34.57 cm3; (14)Molar Volume: 129.7 cm3; (15)Polarizability: 13.7×10-24cm3; (16)Surface Tension: 36.4 dyne/cm; (17)Density: 1.034 g/cm3; (18)Flash Point: 137.8 °C; (19)Enthalpy of Vaporization: 54.3 kJ/mol; (20)Boiling Point: 230.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0125 mmHg at 25 °C.
Preparation and Uses of 1,1'-Oxydi-2-propanol: this chemical can be prepared by 1,2 - propanediol and propylene oxide. The reaction temperature is 229 - 233 °C. Morteover, it is used for the manufacture of polyester resins. It is also used as a solvent of cellulose nitrate. And it is an intermediate used in organic synthesis.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, please avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)COCC(O)C
(2)InChI: InChI=1/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3
(3)InChIKey: AZUXKVXMJOIAOF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H14O3/c1-5(7)3-9-4-6(2)8/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: AZUXKVXMJOIAOF-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 11500mg/kg (11500mg/kg) | BEHAVIORAL: ANTIPSYCHOTIC | Food and Cosmetics Toxicology. Vol. 16, Pg. 729, 1978. |
guinea pig | LD50 | oral | 17600uL/kg (17.6mL/kg) | German Offenlegungsschrift Patent Document. Vol. #2703360, | |
mouse | LD50 | intraperitoneal | 4494mg/kg (4494mg/kg) | KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" | Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 6, Pg. 342, 1947. |
rabbit | LD50 | skin | > 20mL/kg (20mL/kg) | Union Carbide Data Sheet. Vol. 12/17/1971, | |
rat | LD50 | intraperitoneal | 10gm/kg (10000mg/kg) | Food and Cosmetics Toxicology. Vol. 16, Pg. 729, 1978. | |
rat | LD50 | intravenous | 5800mg/kg (5800mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 3, Pg. 448, 1951. |
rat | LD50 | oral | 14850mg/kg (14850mg/kg) | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 731, 1969. |