CAS No.7789-92-6,1,1,3-TRIETHOXYPROPANE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7789-92-6
Name:	1,1,3-TRIETHOXYPROPANE
Article Data:	18

Formula:	C₉H₂₀O₃
Molecular Weight:	176.256
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);
EINECS:	232-193-4
Density:	0.896 g/cm³
Boiling Point:	185 °C at 760 mmHg
Flash Point:	53.3 °C
Appearance:	clear slightly yellow liquid
Hazard Symbols:	Xn
Risk Codes:	10-22
Safety:	16-36
Transport Information:	UN 3271 3/PG 3
PSA:	27.69000
LogP:	1.81210

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Specification

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.