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2-Propyn-1-ol,1-propanoate

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Name

2-Propyn-1-ol,1-propanoate

EINECS 217-695-3
CAS No. 1932-92-9 Density 0.976 g/cm3
PSA 26.30000 LogP 0.57280
Solubility N/A Melting Point N/A
Formula C6H8O2 Boiling Point 146.4 °C at 760 mmHg
Molecular Weight 112.128 Flash Point 42.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 1932-92-9 (PROPARGYL PROPIONATE) Hazard Symbols IrritantXi
Synonyms

2-Propyn-1-ol,propanoate (9CI);2-Propyn-1-ol, propionate (7CI,8CI);Propionic acid,2-propynyl ester (6CI);2-Propynyl propanoate;Propargyl propionate;

Article Data 4

2-Propyn-1-ol,1-propanoate Specification

The 2-Propyn-1-ol,1-propanoate, with the CAS registry number 1932-92-9, is also known as Propargyl propionate. It belongs to the product categories of C6 to C7; Carbonyl Compounds; Esters. Its EINECS registry number is 217-695-3. This chemical's molecular formula is C6H8O2 and molecular weight is 112.1265. What's more, its systematic name and its IUPAC name are the same which is called Prop-2-ynyl propanoate. It should be preserved hermetically and put in a cool, dry place.

Physical properties about 2-Propyn-1-ol,1-propanoate: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.97; (6)ACD/BCF (pH 7.4): 3.97; (7)ACD/KOC (pH 5.5): 93.35; (8)ACD/KOC (pH 7.4): 93.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 29.44 cm3; (15)Molar Volume: 114.8 cm3; (16)Surface Tension: 32.7 dyne/cm; (17)Density: 0.976 g/cm3; (18)Flash Point: 42.1 °C; (19)Enthalpy of Vaporization: 38.34 kJ/mol; (20)Boiling Point: 146.4 °C at 760 mmHg; (21)Vapour Pressure: 4.64 mmHg at 25 °C.

Uses of 2-Propyn-1-ol,1-propanoate: it is used to produce other chemicals. For example, it is used to produce Propionic acid 4-(methyl-phenyl-amino)-but-2-ynyl ester. The reaction occurs with reagent t-Butyl hydroperoxide and CuBr and solvent Decane at temperature of 100 °C for 3 hours. The yield is 58 %.



When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. What's more, it’s flammable. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC#C)CC
(2) InChI: InChI=1/C6H8O2/c1-3-5-8-6(7)4-2/h1H,4-5H2,2H3
(3) InChIKey: BGRYSGVIVVUJHH-UHFFFAOYAX

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