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Abamectin(CAS No. 71751-41-2)

Abamectin C48H72O14;C47H70O14 (cas 71751-41-2) Molecular Structure

71751-41-2 Structure

Identification and Related Records

【Name】
Abamectin
【CAS Registry number】
71751-41-2
【Synonyms】
Avermectin B1a
PT 310
Avermectin/ Abamectin
Mixture of Avermectin B1a and Avermectin B1b
Avermectins
sell abamectin 1.8%EC,95% TC
Abamectin Powder
Avermectin B1a(1.8%EC,2.0%EC)
Abamectin(Avermectin)
Abamectin 1.8%EC
abamectin 95%TC
Zephyr
Agri-Mek
Avert
MK 936
Avermctin
Vertimec
Avid
Avermectin
VetGard
Avermectin/Abamectin
Abamectine
Abamectin (Avermectin B1)
bamectin Tech
Prestwick_10
Abamectin 1.8% EC
Avermectin B1
Affirm
【EINECS(EC#)】
265-610-3
【Molecular Formula】
C48H72O14;C47H70O14 (Products with the same molecular formula)
【Molecular Weight】
873.07688
【Inchi】
InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
【InChIKey】
RRZXIRBKKLTSOM-XPNPUAGNSA-N
【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)O)OC)OC)C)C
【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)O)OC)OC)\C)C
【MOL File】
71751-41-2.mol

Chemical and Physical Properties

【Appearance】
white powder
【Density】
1.16g/cm3
【Melting Point】
150-155℃
【Boiling Point】
940.912 °C at 760 mmHg
【Flash Point】
940.912 °C at 760 mmHg
【Water】
insoluble
【Solubilities】
insoluble
【Color/Form】
Off-white to yellow crystals from methanol
【Stability】
Stable at normal temperatures and pressures.
【Storage temp】
2-8°C
【Spectral properties】
UV max (methanol): 237, 245, 253 nm (log e 4.48, 4.53, 4.34)
Specific optical rotation: +55.7 deg (c= 0.87 in CHCl3)
【Computed Properties】
Molecular Weight:873.07688 [g/mol]
Molecular Formula:C48H72O14
XLogP3-AA:3.8
H-Bond Donor:3
H-Bond Acceptor:14
Rotatable Bond Count:8
Exact Mass:872.492207
MonoIsotopic Mass:872.492207
Topological Polar Surface Area:170
Heavy Atom Count:62
Formal Charge:0
Complexity:1730
Isotope Atom Count:0
Defined Atom Stereocenter Count:20
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:3
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
T+,N
【Risk Statements】
R20
【Safety Statements 】
36/37/39-45-60-61
【HazardClass】
6.1(a)
【Safety】

Safety Information of Abamectinum? (CAS NO.71751-41-2):
Hazard Codes: T+Very,NDangerous
Risk Statements: 20-28-50??
R20:Harmful by inhalation.?
R28:Very toxic if swallowed.?
R50:Very toxic to aquatic organisms.
Safety Statements: 36/37/39-45-60-61
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.?
RIDADR: 2588
RTECS: CL1203000
HazardClass: 6.1(a)
PackingGroup: II?

【PackingGroup 】
II
【Skin, Eye, and Respiratory Irritations】
Mild eye irritant; non-irritating to skin (rabbits).
【Transport】
2588
【Formulations/Preparations】
USEPA/OPP Pesticide Code 122804; Trade Names: MK 936, L 676, Affirm, Avid.
Mixture of avermectins, q.v. containing at least 80% of avermectin B1a (C48H72O14) and not more than 20% of avermectin B1b (C47H70O14).
Abamectin for use in foliar spray applications is formulated as an emulsifiable concentrate. ... /Fire ant bait/ together with soybean oil and corn grits.
【Other Preventative Measures】
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
【Protective Equipment and Clothing】
Mild eye irritant; non-irritating to skin (rabbits).
【Specification】

?Abamectinum? , its CAS NO. is 71751-41-2, the synonyms are Mixture of Avermectin B1a and Avermectin B1b ; Affirm ; Agri-Mek ; Avermectin ; Avermectin B1 ; Avid?; Zephyr .??

【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

Isoln from Streptomyces avermitilis: G. Albers-Schoenberg et al., Ger. pat 2,717,040; eidem, U.S. pat 4,310,519 (1977, 1982, both to Merck & Co.).
【Usage】

Mixture of avermectins, containing at least 80% of avermectin B1a (C48H72O14) and not more than 20% of avermectin B1b (C47H70O14). Used as acaricide, insecticide

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents destructive to parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
【Therapeutic Uses】
Mixture of avermectins, containing at least 80% of avermectin B1a (C48H72O14) and not more than 20% of avermectin B1b (C47H70O14). Used as acaricide, insecticide

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), a reported Koc value of 5000(2) indicates that abamectin is expected to be immobile in soil(SRC). Volatilization of abamectin from moist soil surfaces is not expected to be an important fate process(3) given an estimated Henry's Law constant of 1.7X10-7 atm-cu m/mole (SRC), estimated using its vapor pressure, 1.5X10-9 mm Hg(4), and water solubility, 0.01 mg/l(4). Abamectin is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Biodegradation in soil may be an important environmental fate process as soil half-lives of 2 weeks to 2 months have been reported(5).
AQUATIC FATE: Based on a classification scheme(1), a reported Koc value of 5000 (2) indicates that abamectin is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.7X10-7 atm-cu m/mole(SRC), estimated using its vapor pressure, 1.5X10-9 mm Hg(4), and water solubility, 0.01 mg/l(4). According to a classification scheme(5), a BCF of 56(6) suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Biodegradation in water and sediments may be an important environmental fate process as soil half-lives of 2 weeks to 2 months have been reported(7).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), abamectin, which has a vapor pressure of 1.5X10-9 mm Hg(2) is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase abamectin may be removed from the air by wet and dry deposition(SRC). There is the potential for the photodegradation of abamectin in air(3,4); however, the rate at which this process may occur is not known.

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