Spiroxamine
Grundinformationen
- CAS
118134-30-8- Standard-SMILES
CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1- InChIKey
PUYXTUJWRLOUCW-UHFFFAOYSA-N- Summenformel
- C18H35NO2
- Durchschnittliche Molmasse
- 297,5 g/mol
- Monoisotopische Masse
- 297,26677936
Überblick
Spiroxamine is the spiroketal resulting from the formal condensation of 4-tert-butylcyclohexanone with 3-[ethyl(propyl)amino]propane-1,2-diol. An inhibitor of ergosterol synthesis, it is a broad spectrum agricultural fungicide used particularly against powdery mildew in the production of cereals, bananas and grapes. It has a role as a xenobiotic, an environmental contaminant, a sterol biosynthesis inhibitor and an antifungal agrochemical. It is a dioxolane, a tertiary amino compound and a spiroketal.
Namen und Bezeichner
- Bevorzugter Name
- Spiroxamine
- IUPAC
- N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine
- Englischer Name
- Spiroxamine
- Summenformel
- C18H35NO2
- Molmasse
- 297.48
Namen und Synonyme
Spiroxamine118134-30-8ImpulseDTXSID1034212OUT5YHB7BOKWG4168KWG-41681,4-Dioxaspiro(4.5)decane-2-methanamine, 8-(1,1-dimethylethyl)-N-ethyl-N-propyl-CHEBI:9242DTXCID90142128-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro(4.5)decane-2-methanamineN-[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]-N-ethylpropan-1-amine
Weitere Namen anzeigen
SPIROXAMINKWG 4168Spiro aMineSpirocyclineSpiroxamine 0SpirocyclovirProsper HoggarSpiroketalaMine
((8-tert-butyl-1,4-dioxaspiro(4.5)decan-2-yl)methyl)(ethyl)propylamine(8-Tert-butyl-1,4-dioxa-spiro(4.5)dec-2-ylmethyl)-ethyl-propyl-amine(8-tert-Butyl-1,4-dioxa-spiro[4.5]dec-2-ylmethyl)-ethyl-propyl-amine8-(1,1-dimethylethyl)-N-ethyl-N-propyl-1,4-dioxaspiro[4.5]decane-2-methanamineN-((8-tert-butyl-1,4-dioxaspiro(4.5)dec-2-yl)methyl)-N-ethylpropan-1-amineRefChem:184959spiroxamine (ISO); 8-tert-butyl-1,4-dioxaspiro(4.5)decan-2-ylmethyl(ethyl)(propyl)amine601-505-4
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 21,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 316
Experimentelle und physikochemische Eigenschaften
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Fungicides
Pesticide
Environmental transformation -> Pesticides (parent, predecessor)
Pesticide (Spiroxamine) -> USDA PDB
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
176.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1034212]
182.9 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 °C · <25 °C
- Siedepunkt
- 120 ° · bp 120° at 0.067 hPa
- Dichte
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- Brechungsindex
- 20 · nD20 1.4662
- Flammpunkt
- 147 °C · 147 °C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Warning
H302+H312+H332 (64.8%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P203, P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 737/2007
Spiroxamine is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
2007/21/EC, 99/73/EC, Reg. (EU) 2023/2592, Reg. (EU) 2026/372 , Reg. (EU) No 2019/291, Reg. (EU) No 540/2011, Reg. (EU) No 797/2011
Spiroxamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Repr. 2
Toxikologische Informationen
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc.
Verwendung und Herstellung
UsesThis is a man-made compound that is used as a pesticide.
Use Classification
Environmental transformation -> Pesticides (parent, predecessor)
Pharmaceuticals
Fungicides
Anwendungen
BeschreibungSpiroxamine is a tertiary amine fungicide and an inhibitor of Δ14 reductase/Δ8→Δ7 isomerase. It inhibits the growth of N. parvum, B. dothidea, D. seriata, and L. theobromae isolates from grape vines (EC50s = 0.97-10.28 mg/L). Spiroxamine (0.03-30 μM) reduces network formation in rat cortical cultures. It is also cytotoxic to MDA-kb2 cells (EC20 = 9.29 μM).
VerwendenSpiroxamine is a spiroketalamine fungicide for use on cereal crops. Spiroxamine inhibits ergosterol synthesis. Spiroxamine is used as agricultural fungicide.
Anbieter74 Anbieter
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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