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36536-46-6

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Basic Information
CAS No.: 36536-46-6
Name: (+/-)-B-BUTYROLACTONE
Article Data: 46
Molecular Structure:
Molecular Structure of 36536-46-6 ((+/-)-B-BUTYROLACTONE)
Formula: C4H6O2
Molecular Weight: 86.0904
Synonyms: (+-)-2-oxetanon;(i)-beta-butyrolactone;(rs)-beta-butyrolactone;rac-(3R*)-3-Hydroxybutanoic acid 1,3-lactone;rac-(4R*)-4-Methyloxetane-2-one;rac-(R*)-3-Hydroxybutanoic acid lactone
EINECS: 253-093-7
Density: 1.096g/cm3
Melting Point: -43.5°C
Boiling Point: 163.2°C at 760 mmHg
Flash Point: 34.1°C
PSA: 26.30000
LogP: 0.32180
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Chemistry

Molecule structure of beta-Butyrolactone (CAS NO.36536-46-6) :

IUPAC Name: 4-methyloxetan-2-one 
Molecular Weight: 86.08924 g/mol
Molecular Formula: C4H6O2 
Density: 1.096 g/cm3 
Boiling Point: 163.2 °C at 760 mmHg
Flash Point: 34.1 °C
Index of Refraction: 1.429
Molar Refractivity: 20.27 cm3
Molar Volume: 78.5 cm3
Polarizability: 8.03*10-24 cm3
Surface Tension: 30.1 dyne/cm 
Enthalpy of Vaporization: 39.97 kJ/mol
Vapour Pressure: 2.09 mmHg at 25 °C
XLogP3-AA: 0.3 
H-Bond Acceptor: 2
Exact Mass: 86.036779
MonoIsotopic Mass: 86.036779
Topological Polar Surface Area: 26.3
Heavy Atom Count: 6
Complexity: 77.6
Canonical SMILES: CC1CC(=O)O1
InChI: InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
InChIKey: GSCLMSFRWBPUSK-UHFFFAOYSA-N
EINECS of beta-Butyrolactone (CAS NO.36536-46-6) : 253-093-7

Toxicity Data With Reference

1.    

mic-bac-sat 33 µg/plate

     EMMUEG    Environmental and Molecular Mutagenesis. 19 (Suppl 21)(1992),2.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 beta-Butyrolactone (CAS NO.36536-46-6) is also called (+-)-2-Oxetanon ;  (rs)-beta-Butyrolactone ; rac-(3R*)-3-Hydroxybutanoic acid 1,3-lactone ; rac-(4R*)-4-Methyloxetane-2-one ; rac-(R*)-3-Hydroxybutanoic acid lactone . beta-Butyrolactone (CAS NO.36536-46-6) is toxic. It will decomposit spicy stimulation smoke  by heat. So the storage environment should be ventilate, low-temperature and dry.