C5H10O
86.13 g/mol
Flavor & FragranceDanger
3-Methylbutanal
CAS590-86-3EC209-691-5
Category
Flavor & Fragrance
Compound Class
Other
Primary Use
flavor and fragrance ingredient
3-Methylbutanal, also known as isovaleraldehyde, is an organic compound and aldehyde that is a colorless liquid at standard temperature and pressure. It is found naturally in low concentrations in many foods and is commercially used as a reagent in the production of pharmaceuticals, perfumes, and pesticides.
flavor and fragrance ingredientreagent for pharmaceutical manufacturingreagent for perfume production
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
ReferenceSame Category
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CAS59020-90-5
Flavor and fragrance ingredient
ReferenceSame Category
Alpha-Angelica lactone
CAS591-12-8
Flavor and fragrance ingredient
ReferenceSame Category
Allyl acetate
CAS591-87-7
synthetic flavoring agent
ReferenceSame Category
2,3-dimethylpyrazine
CAS5910-89-4
Flavoring agent
Safety Reference
Danger
H225Highly flammable liquid and vapour
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H335May cause respiratory irritation
H411Toxic to aquatic life with long lasting effects
H315Causes skin irritation
H332Harmful if inhaled
Regulatory Compliance1
- CN Catalogue of Hazardous ChemicalsCNRegulation
Customs Tariff Classification
The international HS code for 3-Methylbutanal (CAS 590-86-3) is 2912.19.
HS code (international, 6-digit)
2912.19
EU CN code (8-digit)
2912 19 00
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
3-methylbutanal
InChIKey
YGHRJJRRZDOVPD-UHFFFAOYSA-N
SMILES
CC(C)CC=O
Synonyms (26)
- 1-Butanal, 3-methyl-
- 2-Methylbutanal-4
- 3-Methyl-1-butanal
- 3-Methylbutan-1-al
- 3-Methylbutanal
- 3-Methylbutylaldehyde
- 3-Methylbutyraldehyde
- Aldehyde isovalerianique
- Bortezomib Impurity23
- Butanal, 3-methyl-
- Butanal, methyl-
- Butyraldehyde, 3-methyl-
- Iso-Valeraldehyde
- Isoamylaldehyde
- Isopentaldehyde
- Isopentanal
- Isovaleral
- Isovaleraldehyde, natural
- Isovaleric aldehyde
- Isovalerylaldehyde
- Methyl butanal
- b-Methylbutanal
- beta-Methylbutanal
- beta-Methylbutyraldehyde
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