Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(3S)-5-Oxotetrahydrofuran-3-yl acetate |
EINECS | N/A |
CAS No. | 191403-65-3 | Density | 1.23 g/cm3 |
PSA | 52.60000 | LogP | -0.13500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H8O4 | Boiling Point | 266.1 °C at 760 mmHg |
Molecular Weight | 144.127 | Flash Point | 138.5 °C |
Transport Information | N/A | Appearance | clear yellow liquid |
Safety | 37/39-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(3S)-5-Oxotetrahydrofuran-3-yl acetate; |
Article Data | 4 |
This chemical is called (3S)-5-Oxotetrahydrofuran-3-yl acetate, and it's also named as (S)-3-Acetoxy-gamma-butyrolactone. With the molecular formula of C6H8O4, its molecular weight is 144.13. The CAS registry number of this chemical is 191403-65-3. Additionally, this chemical should be sealed in the cool and dry place.
Other characteristics of the (3S)-5-Oxotetrahydrofuran-3-yl acetate can be summarised as followings: (1)ACD/LogP: -0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.12; (8)ACD/KOC (pH 7.4): 7.12; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 31.47 cm3; (15)Molar Volume: 116.8 cm3; (16)Polarizability: 12.47×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 138.5 °C; (20)Enthalpy of Vaporization: 50.4 kJ/mol; (21)Boiling Point: 266.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00882 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. 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=C1OC[C@@H](OC(=O)C)C1
2.InChI: InChI=1/C6H8O4/c1-4(7)10-5-2-6(8)9-3-5/h5H,2-3H2,1H3/t5-/m0/s1
3.InChIKey: QOAAHMCFVNHTBI-YFKPBYRVBG