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155569-91-8

Basic Information
CAS No.: 155569-91-8
Name: AvermectinB1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)
Molecular Structure:
Molecular Structure of 155569-91-8 (AvermectinB1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1))
Formula: C7H6O2.Unspecified
Molecular Weight: 1008.24000
Synonyms: AvermectinB1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (salt) (9CI);Denim;Denim (pesticide);Emamectin benzoate;Emamectin benzoate (salt);MK244;Methylamino abamectin benzoate;Proclaim;Proclaim 5SG;Sch 58854;ShotWan Liquid Formulation;Shot-Wan;Slice;
EINECS: 240-505-5
Density:
Melting Point: 141-146oC
Boiling Point:
Flash Point:
Solubility:
Appearance:
Hazard Symbols: T,N,Xi
Risk Codes: 25-36-50-57-58-36/37/38-50/53-23-21
Safety: 26-36-45-60-61-36/37
Transport Information:
PSA: 206.57000
LogP: 4.62840
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  • Emamectin Benzoate CAS NO. 155569-91-8

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    Emamectin benzoate Basic information Product Name: Emamectin benzoate Synonyms: 4’’-deoxy-4’’-(methylamino)-avermectinb(4’’r)-avermectinbbenzoate(salt);mk0244;mk244;(4''R)-4''-DEOXY-4''-

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Specification

The Emamectin benzoate, with the cas registry number 155569-91-8, has the systematic name of(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-meth anofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylammonio)-alpha-L-arabino-hexopyranosyl]-alpha-L-arabino-hexopyranoside benzoate. The product categories are including pesticide intermediate; chemical fertilizer; insecticide; Organic Ingredients. And it is widely used in prophylaxis and treatment of pest in crops, such as vegetable, fruit tree and cotton.

The characteristics of this chemical are as follows: (1)ACD/LogP: 8.73; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 6.22; (4)ACD/LogD (pH 7.4): 6.22; (5)ACD/BCF (pH 5.5): 7852.13; (6)ACD/BCF (pH 7.4): 7848.85; (7)ACD/KOC (pH 5.5): 4127.79; (8)ACD/KOC (pH 7.4): 4126.07; (9)#H bond acceptors: 16; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 206.57; (13)Exact Mass: 1007.560621; (14)MonoIsotopic Mass: 1007.560621; (15)Topological Polar Surface Area: 207; (16)Heavy Atom Count: 72; (17)Complexity: 1850; (18)Defined Atom StereoCenter Count: 20; (19)Defined Bond StereoCenter Count: 3; (20)Covalently-Bonded Unit Count: 2.

When deal with this chemical, you should be very cautious. For one thing, it is irritant to eyes, respiratory system and skin. This chemical is irritant to eyes, and may cause inflammation to the skin or other mucous membranes. For another thing, it is toxic and may at low levels cause damage to health. If swallowed, it is dangerous to our health. Lastly, it is dangerous for the environment. Being very toxic to aquatic organisms, this chemical may present an immediate or delayed danger to one or more components of the environment, and may cause long-term adverse effects in the environment.

Therefore, you should take the follwoing instructions to protect yourself. Wear suitable protective clothing and gloves. If in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). While store it, this material and its container must be disposed of as hazardous waste. Besides, remember to avoid releasing to the environment, and then refer to special instructions/safety data sheet. 

In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:[O-]C(=O)c1ccccc1.CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1[NH2+]C)O[C@@H]2[C@@H](OC)C[C@@H](O[C@H]2C)O[C@@H]3C(\C)=C\C[C@@H]7C[C@H](OC(=O)[C@@H]4/C=C(/C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@]6(/C =C\[C@H](C)[C@H](O6)[C@@H](C)CC)O7
(2)InChI:InChI=1/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral 76mg/kg (76mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Environmental Toxicology and Chemistry. Vol. 17, Pg. 1118, 1998.
quail LD50 oral 264mg/kg (264mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Environmental Toxicology and Chemistry. Vol. 17, Pg. 1118, 1998.