Cas no 36536-46-6 ((+/-)-b-butyrolactone)
(+/-)-b-butyrolactone structure
Product Name:(+/-)-b-butyrolactone
(+/-)-b-butyrolactone Chemical and Physical Properties
Names and Identifiers
-
- (+/-)-b-butyrolactone
- Β-BUTYROLACTONE
- (+/-)-β-Butyrolactone
- (±)-beta-Butyrolactone
- 4-methyloxetan-2-one
- RAC-.BETA.-BUTYROLACTONE
- Tox21_201253
- 2-Oxetanone, 4-methyl-
- beta-Butyrolactone, analytical standard
- NCGC00091733-01
- EN300-6940117
- .beta.-Butyrolactone
- EINECS 253-093-7
- beta-Methyl-beta-propiolactone
- DB-243105
- (1)-4-Methyloxetan-2-one
- NCGC00091733-02
- MFCD12827426
- CS-0377913
- 4-METHYL-2-OXETANONE
- beta-Butyrolakton [Czech]
- DTXSID1020223
- SY051647
- BETA-BUTYROLACTONE [IARC]
- (4R)-4-methyloxetan-2-one
- beta-Butyrolactone, 98%
- 3068-88-0
- b-Butyrolactone
- (+/-)-.BETA.-BUTYROLACTONE
- beta-Butyrolactone
- NCGC00258805-01
- B0901
- (+/-)-.BETA.-METHYLPROPIOLACTONE
- NS00022032
- NCGC00256595-01
- Q27155863
- .beta.-Butyrolakton
- UNII-8BB68V31MT
- MFCD00005170
- 3-Hydroxybutyric acid beta-lactone
- Butanoic acid, 3-hydroxy-, beta-lactone
- Hydroxybutyric acid lactone
- BETABUTYROLACTONE
- beta-Methylpropiolactone
- CCRIS 111
- 3-Hydroxybutanoic acid, .beta.-lactone
- 3-Hydroxybutyric acid lactone
- C19201
- CAS-3068-88-0
- Tox21_302988
- DTXCID50223
- DL-.beta.-Butyrolactone
- J-018058
- EINECS 221-330-3
- SY310635
- 36536-46-6
- racemic beta-butyrolactone
- NS00089056
- AT19323
- (R)-4-Methyloxetan-2-one
- 8BB68V31MT
- CHEBI:82296
- beta -butyrolactone
- 3-Hydroxybutyric acid, .beta.-lactone
- beta-Butyrolakton
- AKOS015955924
- 3-Hydroxybutanoic acid, beta-lactone
- CHEMBL1361205
-
- Inchi： 1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
- InChI Key： GSCLMSFRWBPUSK-UHFFFAOYSA-N
- SMILES： O1C(CC1C)=O
Computed Properties
- Exact Mass: 86.03678
- Monoisotopic Mass: 86.036779
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 77.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 0.3
Experimental Properties
- Density: 0.9974 (rough estimate)
- Melting Point: -43.5°C
- Boiling Point: 98.74°C (rough estimate)
- Flash Point: 34.1°C
- Refractive Index: 1.4500 (estimate)
- PSA: 26.3
(+/-)-b-butyrolactone Related Literature
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
36536-46-6 ((+/-)-b-butyrolactone) Related Products
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