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1,1'-Oxydi-2-propanol

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Name

1,1'-Oxydi-2-propanol

EINECS 203-821-4
CAS No. 110-98-5 Density 1.034 g/cm3
PSA 49.69000 LogP -0.23540
Solubility MISCIBLE Melting Point 46 - 48oC
Formula C6H14O3 Boiling Point 230.5 °C at 760 mmHg
Molecular Weight 134.175 Flash Point 137.8 °C
Transport Information N/A Appearance Colorless, slightly viscous liquid. Practically no odor.
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 110-98-5 (1,1'-Oxydi-2-propanol) Hazard Symbols N/A
Synonyms

2-Propanol,1,1'-oxydi- (6CI,7CI,8CI);1,1'-Dimethyldiethylene glycol;Bis(2-hydroxypropyl) ether;NSC 8688;

Article Data 8

1,1'-Oxydi-2-propanol Synthetic route

57-55-6

propylene glycol

75-56-9, 16033-71-9

methyloxirane

110-98-5

1,1'-oxydipropan-2-ol

Conditions
ConditionsYield
at 117 - 118℃;
75-56-9, 16033-71-9

methyloxirane

110-98-5

1,1'-oxydipropan-2-ol

Conditions
ConditionsYield
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
ConditionsYield
at 117 - 118℃;
dextrorotatory propylene oxide

dextrorotatory propylene oxide

110-98-5

1,1'-oxydipropan-2-ol

Conditions
ConditionsYield
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
ConditionsYield
ohne Kondensationsmittel;
inactive propylene oxide

inactive propylene oxide

110-98-5

1,1'-oxydipropan-2-ol

Conditions
ConditionsYield
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

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
ConditionsYield
at 144℃;
57-55-6

propylene glycol

110-98-5

1,1'-oxydipropan-2-ol

Conditions
ConditionsYield
With amberlyst 36Dry at 130℃;13 %Chromat.
110-98-5

1,1'-oxydipropan-2-ol

79-10-7

acrylic acid

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

1,1'-Oxydi-2-propanol Consensus Reports

Reported in EPA TSCA Inventory.

1,1'-Oxydi-2-propanol 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.

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