cyano(3-phenoxyphenyl)methyl 2-[4-difluoromethoxy)phenyl]-3-methylbutyrate
EC번호 |
274-322-7 |
CAS번호 |
70124-77-5 |
물질명 |
cyano(3-phenoxyphenyl)methyl 2-[4-difluoromethoxy)phenyl]-3-methylbutyrate |
분자식 |
C26H23F2NO4 |
GENERATED SMILES |
CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3 |
GENERATED IUPAC NAME |
cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate |
GENERATED InChI |
InChI=1/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3 |
Melting point |
42 |
Boiling point |
954 |
Vapor pressure |
687 |
Water solubility |
83.16 |
Log octanol-water coefficient (Kow) |
4.89626556 |
Hydroxyl radical |
51 |
rate constant |
44.64 |
Aquatic toxicity -LC50 (fish) |
6.31 |
Aquatic toxicity -LC50 (dapnias) |
8.1 |
Aquatic toxicity -EC50 (green algae) |
6.9 |
Ready biodegradability |
9.49 |
Aqueous hydrolysis |
3.41 |
Soil adsorption coeficient (Koc) |
0.821831 |
BCF & BAF |
93.8702 |
Carcinogenicity |
0 |
Irritancy |
0 |
Lachrymation |
1 |
Neurotoxicity and Thyroid Toxicity |
1 |
Teratogenicity |
0 |
Respiratory and Skin Sensitization |
1 |
Mutagenicity |
1 |
Daphina magna EC50 |
98.5442 |
Fathead Minnow LC50 |
92.3268 |
Aerobic biodegradability |
48.7203 |
Developmental toxicity potential |
61.4055 |
NTP Rodent Carcinogenicity |
1 |
Ocular Irritancy |
0 |
Octonal/Water LogP |
215282 |
Rabbit Skin Irritancy |
918575 |
Rat Chronic LOAEL |
808955 |
(Lowest Observed Adverse Effect Level) |
9703 |
Rat Inhalation Toxicity LC50 |
290.834 |
Rat Maximum Tolerated Dose (MTD) |
653.231 |
Rat Maximum Tolerated Dose (MTD) |
653.231 |
Rat Oral LD50 |
336.53 |
Skin Sensitization |
60.6322 |
Weight-of-Evidence Rodent Carcinogenicity |
1 |