disodium L-tyrosinate
EC번호 |
274-152-3 |
CAS번호 |
69847-45-6 |
물질명 |
disodium L-tyrosinate |
분자식 |
C9H11NO3.2Na |
GENERATED SMILES |
[Na+].[Na+].N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].N[C@@H](Cc2ccc(O)cc2)C(=O)[O-] |
GENERATED IUPAC NAME |
disodium L-tyrosinate |
GENERATED InChI |
InChI=1/2C9H11NO3.2Na/c2*10-8(9(12)13)5-6-1-3-7(11)4-2-6;;/h2*1-4,8,11H,5,10H2,(H,12,13);;/q;;2*+1/p-2 |
Melting point |
21 |
Boiling point |
292 |
Vapor pressure |
546 |
Water solubility |
66.6 |
Log octanol-water coefficient (Kow) |
2.721991701 |
Hydroxyl radical |
52 |
rate constant |
52.51 |
Aquatic toxicity -LC50 (fish) |
6.21 |
Aquatic toxicity -LC50 (dapnias) |
3.82 |
Aquatic toxicity -EC50 (green algae) |
2.66 |
Ready biodegradability |
9.17 |
Aqueous hydrolysis |
5.27 |
Soil adsorption coeficient (Koc) |
0.706728 |
BCF & BAF |
62.3202 |
Carcinogenicity |
1 |
Irritancy |
0 |
Lachrymation |
0 |
Neurotoxicity and Thyroid Toxicity |
1 |
Teratogenicity |
1 |
Respiratory and Skin Sensitization |
1 |
Mutagenicity |
0 |
Daphina magna EC50 |
24.5732 |
Fathead Minnow LC50 |
67.8025 |
Aerobic biodegradability |
2.6842 |
Developmental toxicity potential |
62.4596 |
NTP Rodent Carcinogenicity |
1 |
Ocular Irritancy |
1 |
Octonal/Water LogP |
158178 |
Rabbit Skin Irritancy |
848053 |
Rat Chronic LOAEL |
404615 |
(Lowest Observed Adverse Effect Level) |
41280 |
Rat Inhalation Toxicity LC50 |
336.921 |
Rat Maximum Tolerated Dose (MTD) |
19.572 |
Rat Maximum Tolerated Dose (MTD) |
19.572 |
Rat Oral LD50 |
591.82 |
Skin Sensitization |
58.8135 |
Weight-of-Evidence Rodent Carcinogenicity |
1 |