Compound: propoxur
SMILES: O=C(Oc1c(OC(C)C)cccc1)NC
InChIKey: ISRUGXGCCGIOQO-UHFFFAOYSA-N
Synonyms: propoxur, 114-26-1, Baygon, 2-Isopropoxyphenyl methylcarbamate, Aprocarb, Propoxure, Sendran, Blattanex, Blattosep, Mrowkozol, Propotox, Propoxylor, Brygou, Suncide, Tendex, Bolfo, Dalf dust, Invisi-Gard, Boruho, Bifex, Boruho 50, IPMC, 2-Isopropoxyphenyl N-methylcarbamate, Tugon fliegenkugel, Isocarb, Propyon, Rhoden, o-Impc, Unden (Pesticide), Propoksuru, Bayer B 5122, Bayer 39007, Chemagro 9010, Unden 50PM, PHC 7, PHC (carbamate), Boygon, Caswell No. 508, 2-(1-Methylethoxy)phenol methylcarbamate, Bay 9010, OMS-33, ENT 25,671, Phenol, 2-(1-methylethoxy)-, methylcarbamate, O-(2-Isopropoxyphenyl) N-methylcarbamate, BAY 5122, o-Isopropoxyphenyl N-methylcarbamate, 2-(1-Methylethoxy)phenyl N-methylcarbamate, BAY 39007, Propogon, Phenol, o-isopropoxy-, methylcarbamate, DTXSID7021948, 2-(1-methylethoxy)phenyl methylcarbamate, o-Isopropoxyphenyl methylcarbamate, 2-Isopropoxyphenyl-N-methylcarbamat, NSC-379584, Carbamic acid, methyl-, o-isopropoxyphenyl ester, BFH029TL73, CHEBI:34938, (2-propan-2-yloxyphenyl) N-methylcarbamate, 2-(propan-2-yloxy)phenyl methylcarbamate, DTXCID301948, 2-Isopropoxyphenyl-N-methylcarbamate, N-Methyl-2-isopropoxyphenylcarbamate, NSC379584, Carbamic acid, methyl-, 2-(1-methylethoxy)phenyl ester, Undene, O Isopropoxyphenylmethylcarbamate, O-Isopropoxyphenylmethylcarbamate, o-Isopropoxyphenyl-N-methylcarbamate, PPX (insecticide), N-Methyl-2-isopropoxyphenyl-carbamate, 2-(propan-2-yloxy)phenyl N-methylcarbamate, RefChem:930059, N-2-(1-Methylethoxy)phenyl methyl-carbamate, 204-043-8, Arprocarb, MFCD00055455, 2-[(1-methylethyl)oxy]phenyl methylcarbamate, Propoksuru [Polish], CAS-114-26-1, NSC 379584, CCRIS 1392, HSDB 603, Propoxur [INN:BAN], EINECS 204-043-8, EPA Pesticide Chemical Code 047802, BRN 1879891, UNII-BFH029TL73, Pillargon, AI3-25671, OMS 33, 2-Isopropoxyphenyl-N-methylcarbamat [German], Propoxur (BAN), Propoxur (Standard), Bolfo (TN), (2-isopropoxyphenyl) N-methylcarbamate, Spectrum_001923, PROPOXUR [HSDB], SpecPlus_000554, PROPOXUR [JAN], PROPOXUR [MI], Spectrum2_001232, Spectrum3_000857, Spectrum4_000697, Spectrum5_002032, PROPOXUR [MART.], SCHEMBL27794, BSPBio_002473, KBioGR_001193, KBioSS_002465, SPECTRUM330066, MLS002207242, BIDD:ER0307, DivK1c_006650, SPBio_001104, Isopropoxyphenyl methylcarbamate, CHEMBL446060, orb1310111, orb3025159, HY-B0916R, ISRUGXGCCGIOQO-UHFFFAOYSA-, KBio1_001594, KBio2_002458, KBio2_005026, KBio2_007594, KBio3_001973, HMS3264G19, Pharmakon1600-00330066, HY-B0916, MSK20270, Tox21_201968, Tox21_301207, BDBM50064617, CCG-39115, NSC755890, AKOS015889907, NSC-755890, NCGC00094544-01, NCGC00094544-02, NCGC00094544-03, NCGC00094544-04, NCGC00094544-05, NCGC00094544-06, NCGC00094544-07, NCGC00255104-01, NCGC00259517-01, AS-50078, PHC, SMR000778062, 2-(1-Methylethoxy)phenyl methyl carbamate, SBI-0052551.P002, DB-041207, 2-[(Propan-2-yl)oxy]phenyl methylcarbamate, NS00010600, P2894, Propoxur, PESTANAL(R), analytical standard, D08442, O10810, AB00053059_04, Q411303, SR-01000872751, SR-01000872751-1, BRD-K08231299-001-08-1, Phenol, 2-(1-methylethoxy)-, 1-(N-methylcarbamate), InChI=1/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
Theoretical properties:
molecular_formula: C11H15NO3
molecular_weight: 209.24 g/mol
exact_mass: 209.10519334 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 15
topological_polar_surface_area: 47.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Minute crystals
color: Minute crystals
odor: Odorless
boiling_point: Decomposes (NIOSH, 2024)
melting_point: 187 to 197 °F (NIOSH, 2024)
density: 1.12 at 20 °C
solubility: 0.2 % (NIOSH, 2024)
flash_point: greater than 300 °F (NIOSH, 2024)
vapor_pressure: 7e-06 mmHg (NIOSH, 2024)
Descriptions:
pubchem: Propoxur can cause cancer according to The Environmental Protection Agency (EPA).
chebi: A carbamate ester that is phenyl methylcarbamate substituted at position 2 by a propan-2-yloxy group.
chembl: PROPOXUR is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Propoxur is a carbamate, non-systemic, synthetic insecticide, produced from catechol, and was introduced in 1959 by Bayer.