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Cas Database |
| Name |
4A-Hydroxyavermectin B1 |
EINECS | N/A |
| CAS No. | 86629-72-3 | Density | 1.27g/cm3 |
| PSA | 190.29000 | LogP | 4.34980 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C48H72O15 | Boiling Point | 970.9°Cat760mmHg |
| Molecular Weight | 889.091 | Flash Point | 277.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2'-[2H]pyran], avermectin A1a deriv.;4A-HYDROXYAVERMECTIN B1; |
Article Data | 2 |
4A-Hydroxyavermectin B1 Chemical Properties
4A-Hydroxyavermectin B1 with CAS No.of 86629-72-3 is also called for 5-O-Demethyl-26-hydroxyavermectin A1a ; BRN 5473169 ; Avermectin A1a, 5-O-demethyl-26-hydroxy- ; CID6448355 ; LS-22270 ; 86629-72-3 and so on.
Molecular Weight: 889.07
Molecular Formula: C48H72O15
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 6.05
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 5.5): 23320.67
ACD/BCF (pH 7.4): 23320.27
ACD/KOC (pH 5.5): 46560.17
ACD/KOC (pH 7.4): 46559.35
H bond acceptors: 15
H bond donors: 4
Freely Rotating Bonds: 13
Heavy Atom Count: 63
Formal Charge: 0
Complexity: 1740
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
Polar Surface Area: 146.29Å2
Index of Refraction: 1.578
Molar Refractivity: 232.17 cm3
Molar Volume: 698.8 cm3
Surface Tension: 55.3 dyne/cm
Density: 1.27 g/cm3
Flash Point: 277.2 °C
Enthalpy of Vaporization: 160.35 kJ/mol
Boiling Point: 970.9 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
The molecular structure of 4A-Hydroxyavermectin B1 with CAS No.of 86629-72-3:
4A-Hydroxyavermectin B1 Uses
4A-Hydroxyavermectin B1 (CAS No.86629-72-3) is used as agricultural chemical and insecticide.
4A-Hydroxyavermectin B1 Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 205mg/kg (205mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 42, Pg. 1786, 1994. |
4A-Hydroxyavermectin B1 Safety Profile
A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
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