Basic information
- Name:
Triethyl orthopropionate
- CAS No.:
115-80-0
- Molecular Structure:
- Formula:
- C9H20O3
- Molecular Weight:
- 176.25
- Synonyms:
- Triethyl o-propionate;1,1,1-triethoxypropane;Propane, 1,1, 1-triethoxy-;Orthopropionic acid, triethyl ester;Orthopropionic acid, triethyl ester (8CI);Triethylorthopropionate;Triethyl Ortho Propionate;Orthopropionic acid ethyl ester;Ethyl orthopropionate;propane, 1,1,1-triethoxy-;
- EINECS:
- 204-108-0
- Density:
- 0.898 g/cm3
- Boiling Point:
- 171 °C at 760 mmHg
- Flash Point:
- 60 °C
- Solubility:
- soluble in alcohol ether, slightly soluble in water
- Appearance:
- clear colorless liquid
- Hazard Symbols:
Xn- Risk Codes:
- 36/38-22
- Safety Description:
- 26 Details
- Transport Information:
- UN 3272 3/PG 3
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Specification
The Triethyl orthopropionate, with the CAS registry number 115-80-0 and EINECS registry number 204-108-0, has the systematic name of 1,1,1-triethoxypropane. And the molecular formula of this chemical is C9H20O3. It is a kind of clear colorless liquid, and belongs to the following product categories: Intermediates of Dyes and Pigments; straight chain compounds; Orthoesters; Acetals/Ketals/Ortho Esters; Organic Building Blocks; Oxygen Compounds. What's more, it is often used as analytical reagent and film sensitizer, and it is also used in organic synthesis, dyeing industry and pharmaceuticals industry.
The physical properties of Triethyl orthopropionate are as following: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 117.5; (6)ACD/BCF (pH 7.4): 117.5; (7)ACD/KOC (pH 5.5): 1055.2; (8)ACD/KOC (pH 7.4): 1055.2; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 48.94 cm3; (15)Molar Volume: 196.2 cm3; (16)Polarizability: 19.4×10-24cm3; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 0.898 g/cm3; (19)Flash Point: 60 °C; (20)Enthalpy of Vaporization: 39.07 kJ/mol; (21)Boiling Point: 171 °C at 760 mmHg; (22)Vapour Pressure: 1.9 mmHg at 25°C.
Uses of Triethyl orthopropionate: It can react with N-benzoyl-glycine to produce 4-(1-ethoxy-propylidene)-2-phenyl-4H-oxazol-5-one. This reaction will need reagents 4-(dimethylamino)pyridine and acetic anhydride. The reaction time is 1 hour with heating, and the yield is about 48%.
You should be cautious while dealing with this chemical. It irritates eyes and skin, and it is also harmful if swallowed. Therefore, in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)C(OCC)(OCC)CC
(2)InChI: InChI=1/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3
(3)InChIKey: FGWYWKIOMUZSQF-UHFFFAOYAI