Compound: beta-propiolactone
SMILES: O=C1OCC1
InChIKey: VEZXCJBBBCKRPI-UHFFFAOYSA-N
Synonyms: beta-propiolactone, Propiolactone, 2-Oxetanone, 57-57-8, Oxetan-2-one, Betaprone, Propanolide, 3-Propanolide, 1,3-Propiolactone, 3-Propiolactone, beta-Propionolactone, Propiolactona, 3-Hydroxypropionic acid lactone, Hydracrylic acid beta-lactone, beta-Propiolakton, Propiolactonum, Propiolattone, beta-Propanoic acid lactone, beta-Proprolactone, NSC-21626, DTXSID8021197, 3-Hydroxypropionic acid beta-lactone, 6RC3ZT4HB0, Propanoic acid, 3-hydroxy-, beta-lactone, Propionic acid, 3-hydroxy-, beta-lactone, NSC21626, DTXCID801197, CHEBI:49073, hydroacrylic acid, 3-Propiolacetone, beta Propiolactone, 3-Hydroxy-beta-lactone, b-Propionolactone, RefChem:55926, Hydracrylic Acid, b-Lactone, CHEBI:49043, 3-Hydroxypropionic Acid, b-Lactone, HYDROACRYLIC ACID, BETA-LACTONE, 3-HYDROXYPROPIONIC ACID, BETA-LACTONE, 200-340-1, 3-Hydroxy-propionic acid, beta-Lactone, b-Propiolactone, .beta.-Propiolactone, betapron, BPL, .beta.-Proprolactone, .beta.-Propionolactone, Propiolactone .beta.-, MFCD00005169, beta-lactone hydracrylic acid, .beta.-Propanoic acid lactone, Hydracrylic acid .beta.-lactone, 3-Hydroxypropionic acid, lactone, NCGC00090802-01, Caswell No. 709, Propiolattone [DCIT], Propionolactone, Oxetanone, beta-Propiolakton [Czech], Propiolactonum [INN-Latin], NSC 21626, Propiolactona [INN-Spanish], 25037-58-5, CCRIS 536, HSDB 811, Propiolactone, beta-, Propiolactone [USAN:INN:BAN], EINECS 200-340-1, UNII-6RC3ZT4HB0, EPA Pesticide Chemical Code 010901, BRN 0001360, AI3-24257, oxetan-2one, 2-Oxooxetane, 2-Oxacyclobutanone, Betaprone (TN), .beta.-Propiolakton, .beta.-Propriolactone, Spectrum_000216, Spectrum2_001982, Spectrum4_001274, WLN: T4OVTJ, EC 200-340-1, Hydracrylic acid ss-lactone, PROPIOLACTONE [INN], Propiolactone (USAN/INN), PROPIOLACTONE [HSDB], PROPIOLACTONE [USAN], SCHEMBL17977, KBioGR_001888, KBioSS_000696, 5-17-09-00003 (Beilstein Handbook Reference), DivK1c_001003, PROPIOLACTONE [MART.], SCHEMBL159827, SPECTRUM1503234, SPBio_002163, Hydracylic acid, .beta.lactone, orb1943377, SCHEMBL1555131, .beta.-lactone hydracrylic acid, Propanoic acid, .beta.-lactone, Propionic acid, .beta.-lactone, CHEMBL1200627, SCHEMBL10680620, HMS503I07, KBio1_001003, KBio2_000696, KBio2_003264, KBio2_005832, BETA-PROPIOLACTONE [IARC], Hydracrylic acid, .beta.-lactone, beta-Hydroxypropionic Acid Lactone, NINDS_001003, HMS1922K19, HMS2092P12, Pharmakon1600-01503234, .BETA.-PROPIOLACTONE [MI], PROPIOLACTONE [ORANGE BOOK], Tox21_111026, CCG-39865, EBC-26030, NSC758422, AKOS015906936, 3-Hydroxypropionic acid .beta.-lactone, AT19319, DB09348, FP10342, NSC-758422, beta-Propiolactone, Grade II, >=90%, CAS-57-57-8, IDI1_001003, NCGC00090802-02, NCGC00090802-03, BP-31191, SBI-0051797.P002, DB-003748, HY-107931, CS-0030919, H0168, NS00005909, Propanoic acid, 3-hydroxy-, .beta.-lactone, Propionic acid, 3-hydroxy-, .beta.-lactone, EN300-68177, C19297, D05630, AB00052333_02, Q420715, SR-05000001970, InChI=1/C3H4O2/c4-3-1-2-5-3/h1-2H, SR-05000001970-1, BRD-K76867903-001-03-8, Z1089877620
Theoretical properties:
molecular_formula: C3H4O2
molecular_weight: 72.06 g/mol
exact_mass: 72.021129366 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 5
topological_polar_surface_area: 26.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: A COLORLESS LIQUID
color: A COLORLESS LIQUID
odor: PUNGENT
boiling_point: 324 °F at 760 mmHg decomposes (EPA, 1998)
melting_point: -27 °F (EPA, 1998)
density: 1.146 at 68 °F (EPA, 1998) - Denser than water; will sink
solubility: 10 to 50 mg/mL at 66 °F (NTP, 1992)
flash_point: 158 °F (EPA, 1998)
vapor_pressure: 3.4 mmHg at 77 °F (EPA, 1998)
Descriptions:
pubchem: beta-Propiolactone can cause cancer according to an independent committee of scientific and health experts.
chembl: PROPIOLACTONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: β-Propiolactone, often simply called propiolactone, is an organic compound with the formula CH2CH2CO2.  It is a member of the lactone family, with a four-membered ring. It is a colorless liquid with a slightly sweet odor, highly soluble in water and organic solvents.  The carcinogenicity of this compound has limited its commercial applications.