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Spiroxamine

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Name

Spiroxamine

EINECS N/A
CAS No. 118134-30-8 Density 0.96 g/cm3
PSA 21.70000 LogP 4.06630
Solubility N/A Melting Point <25 °C
Formula C18H35 N O2 Boiling Point 367.6 °C at 760 mmHg
Molecular Weight 297.481 Flash Point 95.1 °C
Transport Information UN 3082 Appearance Colourless to Brownish Yellow Oil
Safety S36/37/39-S46-S60-S61 Risk Codes R20/21/22;R38;R43;R50/53   
Molecular Structure Molecular Structure of 118134-30-8 (SPIROXAMINE) Hazard Symbols
Synonyms

Impulse;Impulse (pesticide);KWG 4168;Prosper (fungicide);Prosper Hoggar;Spiroketalamine;Spiroxamine;rac-N-{[(2R)-8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl]methyl}-N-ethylpropan-1-amine;N-((8-(tert-Butyl)-1,4-dioxaspiro[4.5]decan-2-yl)methyl)-N-ethylpropan-1-amine;8-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamine;N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine;8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-ylmethyl(ethyl)(propyl)amine;

Article Data 2

Spiroxamine Synthetic route

118134-30-8

spiroxamine

18α-glycyrrhizic acid

C42H62O16*C18H35NO2

Conditions
ConditionsYield
In methanol Reflux;98%

Spiroxamine Chemical Properties

Molecular Structure of Spiroxamine (CAS NO.118134-30-8):

IUPAC Name: N-[(8-tert-Butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine 
Molecular Formula: C18H35NO2
Molecular Weight: 297.48 
XLogP3-AA: 4.2
H-Bond Donor: 0
H-Bond Acceptor: 3
storage temp.: 0-6 °C
Melting Point: < 25 °C 
Index of Refraction: 1.486
Molar Refractivity: 88.63 cm3
Molar Volume: 308.2 cm3
Surface Tension: 34.6 dyne/cm
Density: 0.96 g/cm3
Flash Point: 95.1 °C
Enthalpy of Vaporization: 61.41 kJ/mol
Boiling Point: 367.6 °C at 760 mmHg
Vapour Pressure: 1.35E-05 mmHg at 25 °C
Canonical SMILES: CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C
InChI: InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKey: PUYXTUJWRLOUCW-UHFFFAOYSA-N

Spiroxamine Uses

 Spiroxamine is a spiroketalamine fungicide for use on cereal crops. Spiroxamine inhibits ergosterol synthesis. Spiroxamine is used as agricultural fungicide.

Spiroxamine Safety Profile

Safety Information of Spiroxamine (CAS NO.118134-30-8):
Hazard Codes: HarmfulXn,DangerousN
Risk Statements: 20/21/22-38-43-50/53 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R38:Irritating to skin. 
R43:May cause sensitization by skin contact. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 36/37/39-46-60-61 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S46:If swallowed, seek medical advice immediately and show this container or label. 
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: UN3082 9/PG 3

Spiroxamine Specification

 Spiroxamine (CAS NO.118134-30-8), its Synonyms are 1,4-Dioxaspiro(4.5)decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl- ; Impulse ; Impulse (pesticide) ; KWG 4168 ; Prosper ; Prosper (fungicide) ; Prosper Hoggar ; Spiroketalamine ; N-Ethyl-N-propyl-8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-ylmethylamine .

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
pKa Dissociation Constant 6.9 (none)   EXP
log P (octanol-water) 5.510 (none)   EST
Water Solubility 470 mg/L 20 EXP
Vapor Pressure 1.28E-04 mm Hg 25 EXP
Henry's Law Constant 1.07E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.28E-10 cm3/molecule-sec 25 EST


 

 

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