Emamectin benzoate [ISO]
Basic information
- CAS
155569-91-8- Standard SMILES
CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.O=C([O-])c1ccccc1- InChIKey
GCKZANITAMOIAR-XWVCPFKXSA-N- Molecular formula
- C56H81NO15
- Average molar mass
- 1,008.2 g/mol
- Monoisotopic mass
- 1,007.56062088
Overview
See also: Emamectin Benzoate (preferred).
Names & identifiers
- Preferred name
- Emamectin benzoate [ISO]
- IUPAC
- [(2S,3S,4S,6S)-6-[(2S,3S,4S,6R)-6-[(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-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]-methylazanium benzoate
- English name
- Emamectin benzoate
- Molecular formula
- C49H77NO13
- Molecular weight
- 888.13
Names & synonyms
Shot WanProclaim 5SGDenim (pesticide)Emamectin benzoate [ISO]UNII-HVM3G4A01WShot Wan Liquid FormulationSch 58854MK 0244Emamectin B1 Benzoate (Mixture of B1a and B1b)DSSTox_CID_14566DSSTox_RID_79167DSSTox_GSID_34566
Show more names
EMAMECTIN-BENZOATE4’’-deoxy-4’’-(methylamino)-avermectinb(4’’r)-avermectinbbenzoate(salt)slicemk244mk0244Oxime esterJiawei SaltEMAMECTIN MINEmamectin saltEMAMECTIN 85%TC
Tox21_300787AKOS015896082NCGC00168343-01NCGC00254691-01CAS-155569-91-8
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 207 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,850
Physicochemical properties
- Melting point
- 141 · 141-146°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to off-white
- Henry's Law Constant
- 5.8 · 5.8×103 mol/(m3Pa) at 25℃, HSDB (2015)
- InChIKey
- GCKZANITAMOIAR-XWVCPFKXSA-N
- FDA UNII
- 3 G4A01W · HVM3G4A01W
- Pesticides Freedom of Information Act (FOIA)
- Emamectin benzoate
- EPA Substance Registry System
- Emamectin benzoate (155569-91-8)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H319-H410
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- CL1203005
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29224999
- risk_code
- 25-36-50-57-58-36/37/38-50/53-23-21
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N,Xi
- safety_code
- 26-36-45-60-61-36/37
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- target organs
- Nervous system
- Hazard statements
- H301+H311+H331-H319-H410
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1STOT RE 1STOT SE 1
- Precautionary statements
- P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338
Chemistry & industry
Applications
DescriptionEmamectin 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.
UsesEmamectin benzoate is a mixture of semi-synthetic Avermectins. Exists as the anhydrous and various hydrated forms having different crystal morphologies. An insecticidal heterocyclic reagent.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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