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CAS No.: | 535-17-1 |
---|---|
Name: | (+/-)-2-ACETOXYPROPIONIC ACID |
Article Data: | 69 |
Molecular Structure: | |
Formula: | C5H8O4 |
Molecular Weight: | 132.116 |
Synonyms: | (±)-2-Acetoxypropionic acid;Lactic acid, acetate; |
Density: | 1.205g/cm3 |
Melting Point: | 58.35°C |
Boiling Point: | 226.4 °C at 760 mmHg |
Flash Point: | 95.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 63.60000 |
LogP: | 0.02260 |
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The Propanoic acid,2-(acetyloxy)-, with the CAS registry number 535-17-1, is also known as (±)-2-Acetoxypropionic acid and Lactic acid, acetate. This chemical's molecular formula is C5H8O4 and molecular weight is 132.1146. What's more, both its IUPAC name and systematic name are the same which is called 2-(Acetyloxy)propanoic acid.
Physical properties about Propanoic acid,2-(acetyloxy)- are: (1)ACD/LogP: 0.16; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.56; (4)CD/LogD (pH 7.4): -3.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 28.51 cm3; (15)Molar Volume: 109.5 cm3; (16)Surface Tension: 39.6 dyne/cm; (17)Density: 1.205 g/cm3; (18)Flash Point: 95.2 °C; (19)Enthalpy of Vaporization: 51 kJ/mol; (20)Boiling Point: 226.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0298 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contact 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(OC(C(=O)O)C)C
(2) InChI: InChI=1/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)
(3) InChIKey: WTLNOANVTIKPEE-UHFFFAOYAO