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| CAS No.: | 6034-46-4 |
|---|---|
| Name: | (S)-(-)-2-ACETOXYPROPIONIC ACID |
| Article Data: | 38 |
| Molecular Structure: | |
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|
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| Formula: | C5H8O4 |
| Molecular Weight: | 132.116 |
| Synonyms: | Lacticacid, acetate, L- (8CI);Propanoic acid, 2-(acetyloxy)-, (S)-;(+)-Lactic acidacetate;(+)-a-Acetoxypropionicacid;(2S)-2-(Acetyloxy)propanoic acid;(2S)-2-Acetoxypropanoic acid;(S)-(+)-2-Acetoxypropanoic acid;(S)-(+)-2-Acetoxypropionic acid;(S)-(-)-2-Acetoxypropanoic acid;(S)-2-Acetoxypropanoic acid;(S)-2-Acetoxypropionic acid;(S)-O-Acetyllactic acid;2(S)-Acetoxypropionicacid;L-(+)-O-Acetylactic acid;L-Lactic acid acetate;O-Acetyl-(S)-lacticacid;a-(Acetyloxy)-L-propionic acid; |
| Density: | 1.205g/cm3 |
| Boiling Point: | 226.4 °C at 760 mmHg |
| Flash Point: | 95.2 °C |
| Hazard Symbols: |
 Xi;  Xn
|
| Risk Codes: | 20/21/22 |
| Safety: | 26-27-28-36/39 |
| PSA: | 63.60000 |
| LogP: | 0.02260 |
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Specification
The Propanoic acid,2-(acetyloxy)-, (2S)-, with CAS registry number 6034-46-4, belongs to the following product categories: (1)Carboxylic Acids (Chiral); (2)Chiral Building Blocks; (3)Synthetic Organic Chemistry. It has the systematic name of (2R)-2-(acetyloxy)propanoic acid. This chemical should be stored at the temperature of 0-6°C. And the chemical formula of this chemical is C5H8O4.
Physical properties of Propanoic acid,2-(acetyloxy)-, (2S)-: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.56; (4)ACD/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)Polarizability: 11.3×10-24cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.205 g/cm3; (19)Flash Point: 95.2 °C; (20)Enthalpy of Vaporization: 51 kJ/mol; (21)Boiling Point: 226.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0298 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Propanoic acid,2-(acetyloxy)-, (2S)- is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After using, it, take off immediately all contaminated clothing. After contact with skin, wash immediately with plenty of soap-suds.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H](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)/t3-/m1/s1
(3)InChIKey: WTLNOANVTIKPEE-GSVOUGTGBT
(4)Std. InChI: InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m1/s1
(5)Std. InChIKey: WTLNOANVTIKPEE-GSVOUGTGSA-N