Emamectin benzoate

Iupac Name：benzoic acid;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

CAS No.: 155569-91-8

Molecular Weight：888.13

Modify Date.: 2022-12-15 11:56

Introduction: A mixture of semi-synthetic Avermectins. Exists as the anhydrous and various hydrated forms having different crystal morphologies. Insecticide. View more+

Request For Quotation

1. Names and Identifiers

1.1 Name: Emamectin benzoate
1.2 Synonyms: (1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-2-Butanyl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1. 0]pentacosa[10,14,16,22]tetraen]-12'-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylammonio)-α-L-arabino-hexopyranosyl]-α-L-arabino-hexopyranoside benzoate (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 (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-methanofuro[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)-a-L-arabino-hexopyranosyl]-a-L-arabino-hexopyranoside benzoate (4''R)-4''-DEOXY-4''-(METHYLAMINO)AVERMECTIN B1 BENZOATE 4’’-deoxy-4’’-(methylamino)-avermectinb(4’’r)-avermectinbbenzoate(salt) Avermectin B1, 4-deoxy-4-(methylamino)-, (4R)-, benzoate (salt) Emamectin (Benzoate) Emamectin Benzoate Solution, 1000ppm EMAMECTIN-BENZOATE mk0244 mk244

1.3 CAS No.: 155569-91-8

1.4 CID: 11650986

1.5 EINECS(EC#): 605-015-1

1.6 Molecular Formula: C49H77NO13 (isomer)

1.7 Inchi: InChI=1S/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./s1

1.8 InChIkey: GCKZANITAMOIAR-XWVCPFKXSA-N

1.9 Canonical Smiles: CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C.C1=CC=C(C=C1)C(=O)O

1.10 Isomers Smiles: CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)NC)OC)OC)\C)C.C1=CC=C(C=C1)C(=O)O

2. Properties

2.1 Density: 1.20 at 23 °C /Emamectin benzoate/

2.1 Melting point: 141-146°C

2.1 Boiling point: °Cat760mmHg

2.1 Flash Point: °C

2.1 Precise Quality: 1007.56000

2.1 PSA: 206.57000

2.1 logP: 4.62840

2.1 Chemical Properties: Off-White to Pale Beige Solid

2.2 Decomposition: When heated to decomposition it emits toxic vapors of /Nitrogen oxide/.

2.3 pKa: pKa: 4.18 (acidic, attributed to benzoate counter ion), 8.71 (basic, attributed to emamectin moiety)

2.4 Water Solubility: In water, 0.024 g/L at 25 °C (pH 7) /Emamectin benzoate/

2.5 StorageTemp: Inert atmosphere,Room Temperature

3. Use and Manufacturing

3.1 Usage: A mixture of semi-synthetic Avermectins. Exists as the anhydrous and various hydrated forms having different crystal morphologies. Insecticide.

4. Safety and Handling

4.1 Hazard Codes: T,N,Xi

4.1 Risk Statements: 25-36-50-57-58-36/37/38-50/53-23-21

4.1 Safety Statements: 26-36-45-60-61-36/37

4.1 RIDADR: UN 2811 6.1/PG 3

4.1 WGK Germany: 3

4.1 RTECS: CL1203005

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity \u2013 single exposure, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled H318 Causes serious eye damage H370 Causes damage to organs H372 Causes damage to organs through prolonged or repeated exposure H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P273 Avoid release to the environment.
Response	P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P361+P364 Take off immediately all contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P311 Call a POISON CENTER/doctor/\u2026 P308+P311 IF exposed or concerned: Call a POISON CENTER/doctor/... P314 Get medical advice/attention if you feel unwell. P391 Collect spillage.
Storage	P405 Store locked up. P403+P233 Store in a well-ventilated place. Keep container tightly closed.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. Other Information

6.0 Chemical Properties: Off-White to Pale Beige Solid

6.1 Uses: A mixture of semi-synthetic Avermectins. Exists as the anhydrous and various hydrated forms having different crystal morphologies. Insecticide.

6.2 Uses: An insecticidal heterocyclic reagent

6.3 Description: Emamectin benzoate is a white or light yellow crystalline powder, which is improved and upgraded from abamectin, but has higher insecticidal activity than abamectin , It has the advantages of super high efficiency, low toxicity (nearly non-toxic preparation), low residue, no pollution and other biological pesticides.

6.4 Chemical Properties: As a new type of antibiotic bio-sourced insecticide, emamectin benzoate has the advantages of broad-spectrum, high efficiency, low toxicity and low residue. It has a good insecticidal effect on lepidopteran pests. The LC90 value range is 0.002~0.89 mg/L. Compared with its lead compound, abamectin, emamectin salt has lower toxicity, and its toxicity to rats is only 1/6 of that of abamectin. It is safe for humans, animals, etc., and is easily degraded at conventional doses.

6.5 Application: Emamectin benzoate/avermectin is often used to control vegetable pests, such as diamondback moth, beet armyworm, and Spodoptera litura. Because of its good control effect, it has been widely used in the prevention and control of cruciferous vegetable pests and effectively controls the lepidopteran The scale of occurrence of the population of insect pests has delayed the evolution of resistance to traditional insecticides.

6.6 Use Classification: Veterinary Drug -> VETERINARY_DRUG; -> JECFA Functional Classes

7. Computational chemical data

Molecular Weight: 888.13g/mol
Molecular Formula: C₄₉H₇₇NO₁₃
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 1007.56062088
Monoisotopic Mass: 1007.56062088
Complexity: 1850
Rotatable Bond Count: 10
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 16
Topological Polar Surface Area: 199
Heavy Atom Count: 72
Defined Atom Stereocenter Count: 20
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 3
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADcfB+PAAAAAAAAAAAAAAAAAAAASAAAAA0SJECAAAAAEABAAAAHgAQCAAADXzxmAcyCILABgCIAiDSCAACAAAkAAAIiIEICMgbNjaAtRCncQAl8AEfuYfq7OzOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8. Recommended Suppliers

Global208SuppliersView all >>

Hebei Fanggan New Material Technology Co., LTD Diamond member

-121YR

Products:chemicals
Tel:0311-18503114-031178503114
Email:andy@rilonchem.com

CAS 155569-91-8，Emamectin Benzoate,99.98%

Purity:99%Packing: 200kg/bag FOB
Price: 50 USD/kg
Time: 2023/06/09

Inquire

Hebei Yingong New Material Technology Co.,Ltd. Diamond member

-120YR

Products:xylazine hcl,phenacetin,4-Methylpropiophenone,(2-Bromoethyl)benzene,4-Methoxybenzoyl chloride
Tel:86-311-17798046959
Email:rebecca@hbyingong.com

Chemical Products CAS 155569-91-8 Emamectin Benzoate

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kilogram
Time: 2023/06/09

Inquire

Xiamen wonderful Biotechnology Co., Ltd. Diamond member

-122YR

Products:Top quality and high purity with safe transportation and low price
Tel:+86153-92039515-15392039515
Email:victoria@xmwonderfulbio.com

CAS： 155569-91-8 Emamectin Benzoate Overseas warehouse spot

Purity:99%Packing: 200kg/bag FOB
Price: 20 USD/kg
Time: 2023/06/09

Inquire

Qiaoxi Shengyou Chemical Co., LTD Diamond member

-121YR

Products:pharmaceutical intermediates Organic raw materialsAnimal and plant extracts1.4BDO, Eutylone,4MMC, JWH ,SGT Peptide, Steroids, Benzos,Dissociatives
Tel:86-311-18931626169
Email:accountmanager1@yeah.net

Emamectin benzoate

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kg
Time: 2023/06/09

Inquire

Hebei Bester Biotechnology Co., Ltd. Diamond member

-121YR

Products:pmk powder ;pmk oil ;bmk powder ;bmk oil ;Protonitazene hcl ; Bromazolam ; Metonitazene; 2-Bromo-4'-methylpropiophenone ;
Tel:+86-180-32431584
Email:amy@chbbest.com

CAS 155569-91-8 Emamectin benzoate