CAS No.191403-65-3,(S)-3-ACETOXY-GAMMA-BUTYROLACTONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	191403-65-3
Name:	(S)-3-ACETOXY-GAMMA-BUTYROLACTONE
Article Data:	4

Formula:	C₆H₈O₄
Molecular Weight:	144.127
Synonyms:	(3S)-5-Oxotetrahydrofuran-3-yl acetate;
Density:	1.23 g/cm³
Boiling Point:	266.1 °C at 760 mmHg
Flash Point:	138.5 °C
Appearance:	clear yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26
PSA:	52.60000
LogP:	-0.13500

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Specification

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