Compound: m-Cumenyl methylcarbamate
SMILES: O=C(Oc1cc(ccc1)C(C)C)NC
InChIKey: GYKXQTKSWLAUIT-UHFFFAOYSA-N
Synonyms: m-Cumenyl methylcarbamate, 3-Isopropylphenyl methylcarbamate, 64-00-6, Caswell No. 512A, m-Isopropylphenol methylcarbamate, Methylcarbamic acid m-cumenyl ester, HSDB 6376, UC 10854, RCRA waste no. P202, N-Methyl-m-isopropylphenyl carbamate, EINECS 200-572-3, N-Methyl-3-isopropylphenyl carbamate, EPA Pesticide Chemical Code 047801, UNII-27502G8UZX, 3-(1-Methylethyl)phenol methylcarbamate, BRN 2051096, DTXSID1040324, PHENOL, 3-(1-METHYLETHYL)-, METHYLCARBAMATE, Hercules AC-5727, Carbamic acid, methyl-, 3-(1-methylethyl)phenyl ester, DTXCID9020324, Phenol, 3-(1-methylethyl)-, methyl carbamate, CUMENYL METHYLCARBAMATE, M-, Phenol, 3-(1-methylethyl)-, 1-(N-methylcarbamate), PHENOL, 3-(1-METHYLETHYL)-, METHYLCARBAMATE [HSDB], 3-(propan-2-yl)phenyl N-methylcarbamate, OMS-162, Compound 10854(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938), Compound 10854[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938], Hercules AC 5727(Crop Protection Handbook 2004. (Formerly Farm and Chemicals Handbook) Willoughby, OH: Meister Publishing Co., 2004., p. C-146), Hercules AC 5727[Crop Protection Handbook 2004. (Formerly Farm and Chemicals Handbook) Willoughby, OH: Meister Publishing Co., 2004., p. C-146], m-Isopropylphenyl-N-methyl carbamate(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938), m-Isopropylphenyl-N-methyl carbamate[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938], N-methyl-3-isopropylphenyl carbamate(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938), N-methyl-3-isopropylphenyl carbamate[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938], N-methyl-m-isopropylphenyl carbamate(Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938), N-methyl-m-isopropylphenyl carbamate[Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 938], UC 10854(Crop Protection Handbook 2004. (Formerly Farm and Chemicals Handbook) Willoughby, OH: Meister Publishing Co., 2004., p. C-146), UC 10854[Crop Protection Handbook 2004. (Formerly Farm and Chemicals Handbook) Willoughby, OH: Meister Publishing Co., 2004., p. C-146], Caswell No 512A, Hercules-5,727, mCumenol methylcarbamate, mCumenyl methylcarbamate, RefChem:154871, OMS15, Union Carbide UC10,854, m-Cumenyl methylcarbamic acid, 3IsopropylphenylNmethylcarbamate, mIsopropylphenyl methylcarbamate, 3Isopropylphenyl methylcarbamate, OMS631, mIsopropylphenol Nmethylcarbamate, mIsopropylphenyl Nmethylcarbamate, NMethylmisopropylphenyl carbamate, NMethyl3isopropylphenyl carbamate, NMethyl carbamate, m2propylphenyl, NMethyl misopropylphenyl carbamate, Methylcarbamic acid mcumenyl ester, NMethyl 3isopropylphenyl carbamate, Phenol, misopropyl, methylcarbamate, 3(1Methylethyl)phenol methylcarbamate, 3(1Methylethyl)phenyl methylcarbamate, Carbamic acid, methyl, mcumenyl ester, mKumenylester kyseliny methylkarbaminove, USEPA/OPP Pesticide Code: 047801, Phenol, 3(1methylethyl), methyl carbamate, Carbamic acid, Nmethyl, 3isopropylphenyl ester, H8,757, PHENOL,3(1-METHYLETHYL)-,METHYLCARBAMATE, Carbamic acid, methyl, 3(1methylethyl)phenyl ester, GYKXQTKSWLAUIT-UHFFFAOYSA-N, Hercules 5727, m-Cumenol methylcarbamate, Compound 10854, m-Isopropylphenyl methylcarbamate, m-Isopropylphenyl N-methylcarbamate, Union carbide 10854, OMS 162, (3-propan-2-ylphenyl) N-methylcarbamate, Union carbide uc-10,854, Carbamic acid, methyl-, m-cumenyl ester, m-Isopropylphenol N-methylcarbamate, 3-Isopropylphenyl N-methylcarbamate, N-Methyl m-isopropylphenyl carbamate, N-Methyl 3-isopropylphenyl carbamate, HER. 5727, Phenol, m-isopropyl-, methylcarbamate, ENT 25,500, AC 5727, H 5727, H 8757, Carbamic acid, N-methyl-, 3-isopropylphenyl ester, m-Kumenylester kyseliny methylkarbaminove, 27502G8UZX, 1PC, Hercules AC 5727, Oms-631, OMS-15, 3-Isopropylphenyl-N-methylcarbamate, N-Methyl carbamate, m-1-propylphenyl, 3-(1-Methylethyl)phenyl methylcarbamate, AI3-25500, m-Kumenylester kyseliny methylkarbaminove [Czech], H-8,757, ENT 25500, ENT 25,543, OMS 15, SCHEMBL5933261, CHEMBL2046819, SCHEMBL29358693, Tox21_302006, 3-(Propan-2-yl)phenyl methylcarbamate, CAS-64-00-6, NCGC00255448-01, NS00035617, Q6712041
Theoretical properties:
molecular_formula: C11H15NO2
molecular_weight: 193.24 g/mol
exact_mass: 193.110278721 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 14
topological_polar_surface_area: 38.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White crystalline solid
color: White crystalline solid
odor: Odorless
melting_point: 162 to 165 °F (EPA, 1998)
solubility: 10% in isophorone; 10% in xylene; 20% in toluene; 20% in toluene; 40% in isopropanol; 50% in acetone; 60% in dimethylformamide. Practically insoluble in cyclohexane.
vapor_pressure: 0.00439 [mmHg]
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: m-Cumenyl methylcarbamate is an insecticide used on cotton, fruit, vegetable and field crops. As of 1998, the Environmental Protection Agency listed it as an unregistered pesticide in the United States.