Chemical substance record

Spiroxamine

118134-30-8C₁₈H₃₅NO₂297.483 g/mol

Organic/Inorganic Small MoleculeChEBI source record

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. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	118134-30-8	ChEBI ↗
Molecular formula	C₁₈H₃₅NO₂	ChEBI ↗
Molar mass	297.483 g/mol	ChEBI ↗
Monoisotopic mass	297.26678 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:9242	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	297.5 g/mol	PubChem ↗
Exact mass	297.266779359 Da	PubChem ↗
Computed XLogP	4.2	PubChem ↗
Topological polar surface area (Å²)	21.7	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	3	PubChem ↗
Rotatable bonds	6	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

spiroxamine

IUPAC name

N-[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]-N-ethylpropan-1-amine

InChIKey

PUYXTUJWRLOUCW-UHFFFAOYSA-N

SMILES

CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1

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

Names & synonyms

ImpulseN-[(8-tert-butyl-1,4-dioxaspiro[4.5]dec-2-yl)methyl]-N-ethylpropan-1-amineProsper

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

dioxolaneChEBI parent class · 39430 ↗tertiary amino compoundChEBI parent class · 50996 ↗spiroketalChEBI parent class · 72600 ↗

organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

xenobioticenvironmental contaminantsterol biosynthesis inhibitorantifungal agrochemical

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00336154 mol

Uses 297.483 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 18 atoms

72.68%

H

Hydrogen · 35 atoms

11.86%

O

Oxygen · 2 atoms

10.76%

N

Nitrogen · 1 atom

4.71%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Residues of spiroxamine in grapes following field application and their fate from vine to wine. ↗Journal of agricultural and food chemistry · 2005 Dec 28 · PMID 16366700

Determination of spiroxamine residues in grapes, must, and wine by gas chromatography/ion trap-mass spectrometry. ↗Journal of AOAC International · 2005 Nov-Dec · PMID 16526469

DE3735555 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

US4851405 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:9242

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 86160 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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