CAS No.110-98-5,1,1'-Oxydi-2-propanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	110-98-5
Name:	1,1'-Oxydi-2-propanol
Article Data:	8

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

Synthetic route

: 57-55-6
propylene glycol

: 75-56-9, 16033-71-9
methyloxirane

: 110-98-5
1,1'-oxydipropan-2-ol

Conditions

Conditions	Yield
at 117 - 118℃;

: 75-56-9, 16033-71-9
methyloxirane

: 110-98-5
1,1'-oxydipropan-2-ol

Conditions

Conditions	Yield
With sodium hydroxide

: 75-56-9, 16033-71-9
methyloxirane

inactive propylene glycol: inactive propylene glycol

A: 110-98-5
1,1'-oxydipropan-2-ol

B 'propylene glycol triether: 'propylene glycol triether

Conditions

Conditions	Yield
at 117 - 118℃;

...Expand

dextrorotatory propylene oxide: dextrorotatory propylene oxide

: 110-98-5
1,1'-oxydipropan-2-ol

Conditions

Conditions	Yield
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;

: 4254-14-2
(2R)-propane-1,2-diol

dextrorotatory propylene oxide: dextrorotatory propylene oxide

: 110-98-5
1,1'-oxydipropan-2-ol

Conditions

Conditions	Yield
ohne Kondensationsmittel;

inactive propylene oxide: inactive propylene oxide

: 110-98-5
1,1'-oxydipropan-2-ol

Conditions

Conditions	Yield
With (-)-propane-1,2-diol; sulfuric acid levorotatory β.β'-dioxy-dipropyl ether;

: 7664-93-9
sulfuric acid

: 4254-14-2
(2R)-propane-1,2-diol

inactive propylene oxide: inactive propylene oxide

: 110-98-5
1,1'-oxydipropan-2-ol

...Expand

: 75-56-9, 16033-71-9
methyloxirane

sodium-compound of propane-1,2-diol: sodium-compound of propane-1,2-diol

: 110-98-5
1,1'-oxydipropan-2-ol

Conditions

Conditions	Yield
at 144℃;

: 57-55-6
propylene glycol

: 110-98-5
1,1'-oxydipropan-2-ol

Conditions

Conditions	Yield
With amberlyst 36Dry at 130℃;	13 %Chromat.

: 110-98-5
1,1'-oxydipropan-2-ol

: 79-10-7
acrylic acid

: 85996-31-2
DPGDA

Conditions

Conditions	Yield
With hydroquinone In cyclohexane; toluene at 160℃; for 3h; Temperature; Inert atmosphere;	89%

Raw Materials

4254-14-2

7664-93-9

75-56-9

57-55-6

Downstream Products

56-53-1

Total:89 Page 1 of 3 1 2 3 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

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.