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Name |
1,3,3-Triethoxypropane |
EINECS | 232-193-4 |
CAS No. | 7789-92-6 | Density | 0.896 g/cm3 |
PSA | 27.69000 | LogP | 1.81210 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H20O3 | Boiling Point | 185 °C at 760 mmHg |
Molecular Weight | 176.256 | Flash Point | 53.3 °C |
Transport Information | UN 3271 3/PG 3 | Appearance | clear slightly yellow liquid |
Safety | 16-36 | Risk Codes | 10-22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Propionaldehyde,3-ethoxy-, diethyl acetal (6CI,7CI,8CI);1,1,3-Triethoxypropane;3-Ethoxypropionaldehyde diethyl acetal;NSC 71868;β-Ethoxypropionaldehyde diethyl acetal;propane, 1,1,3-triethoxy-;Propionaldehyde, 3-ethoxy-, diethyl acetal (8CI); |
Article Data | 18 |
The 1,3,3-Triethoxypropane, with the CAS registry number 7789-92-6 and EINECS registry number 232-193-4, is also called β-Ethoxypropionaldehyde diethyl acetal. It is a clear slightly yellow liquid. And the molecular formula of the chemical is C9H20O3.
The physical properties of 1,3,3-Triethoxypropane are as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.49; (6)ACD/BCF (pH 7.4): 16.49; (7)ACD/KOC (pH 5.5): 258.72; (8)ACD/KOC (pH 7.4): 258.72; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.412; (14)Molar Refractivity: 48.93 cm3; (15)Molar Volume: 196.5 cm3; (16)Polarizability: 19.4×10-24cm3; (17)Surface Tension: 26.6 dyne/cm; (18)Density: 0.896 g/cm3; (19)Flash Point: 53.3 °C; (20)Enthalpy of Vaporization: 40.4 kJ/mol; (21)Boiling Point: 185 °C at 760 mmHg; (22)Vapour Pressure: 0.976 mmHg at 25°C.
Uses of 1,3,3-Triethoxypropane: It can react with propane-1,2-diol to produce 2-(2-ethoxyethyl)-4-methyl-1,3-dioxolane. This reaction will need reagent p-toluenesulfonic acid monohydrate, and the menstruum dioxane. TAnd the yield is about 57%.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which is harmful if swallowed. Therefore, you had better take the following instructions: Keep away from sources of ignition, and wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)C(OCC)CCOCC
(2)InChI: InChI=1/C9H20O3/c1-4-10-8-7-9(11-5-2)12-6-3/h9H,4-8H2,1-3H3
(3)InChIKey: LGICWIVABSMSDK-UHFFFAOYAJ
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 8mL/kg (8mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
rat | LD50 | oral | 1600mg/kg (1600mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. |