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  • Spiromesifen
Name:Spiromesifen
CAS No:283594-90-1

PRODUCT DESCRIPTION

【Name】
Butanoic acid,3,3-dimethyl-, 2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-ylester
【Iupac name】
[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl]
3,3-dimethylbutanoate
【CAS Registry number】
283594-90-1
【Synonyms】
BSN 2060
Forbid
Oberon
Spiromesifen
【Molecular Formula】
C23H30 O4 (Products with the same molecular formula)
【Molecular Weight】
370.48
【Inchi】
InChI=1/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3
【Canonical SMILES】
CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C
【MOL File】
283594-90-1.mol

Chemical and Physical Properties

【Density】
1.12g/cm3
【Boiling Point】
531.1°Cat760mmHg
【Vapour】
0mmHg at 25°C
【Refractive Index】
1.549
【Flash Point】
266.7°C
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:370.4819 [g/mol]
Molecular Formula:C23H30O4
XLogP3-AA:5.1
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:5
Exact Mass:370.214409
MonoIsotopic Mass:370.214409
Topological Polar Surface Area:52.6
Heavy Atom Count:27
Formal Charge:0
Complexity:621
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:20

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
43-50/53
【Safety Statements 】
Hazard Codes XiRisk Statements 43-50/53Safety Statements 36/37-60-61RIDADR UN3077 9/PG 3
【Safety】
Hazard Codes XiRisk Statements 43-50/53Safety Statements 36/37-60-61RIDADR UN3077 9/PG 3
【Transport】
UN3077 9/PG 3

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