Isobutyraldehyde is a member of the class of propanals that is propanal substituted by a methyl group at position 2.
Definition
Isobutyraldehyde is a member of the class of propanals that is propanal substituted by a methyl group at position 2. It has a role as a Saccharomyces cerevisiae metabolite. It is a member of propanals and a 2-methyl-branched fatty aldehyde.
Source: PubChem
US FDA substance register · UNII C42E28168L · registered name Isobutyraldehyde · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
Other restriction: ban substances that deplete the ozone layer
Source: EU CosIng ingredient list
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 78-84-2
- EC No.EU chemical inventory number
- 201-149-6
- DTXSIDUS EPA chemical ID
- DTXSID9021635
- DTXCIDUS EPA compound ID
- DTXCID201635
- IUPAC
- 2-Methylpropanal
- Molecular formula
- C4H8O
- Molecular weight
- 72.107 g/mol
Measured properties
- Appearance
- liquid
- Colour
- colourless
- Melting/freezing point
- -65 ℃
- Initial boiling point and range
- 63~64 ℃
- Flash point
- -25 ℃
- Upper/lower flammability or explosive limits
- 10.6 / 1.6 %
- Vapour pressure
- (15.3 kPa at 20°C)
- Water solubility
- 6.7 g/100㎖ ( at 20°C)
- Vapour density
- 2.5
- Relative density
- 0.8
- n-Octanol/water partition coefficient (Kow)
- 1.2
- Auto-ignition temperature
- 196 ℃
- Molecular weight
- 72.12
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: KOSHA safety data sheets (Korea)
What products actually use it for
What the 12 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Fragrance3
- Intermediate3
- Flavouring and nutrient2
- Hardener2
- No specific technical function1
- Softener and conditioner1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
5 skin studies and 3 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 8 studies
- Not classified
Skin Sensitization · Screening - Category 6.3B (Category 3)
Skin Irritation · Read Across - Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to other guideline: Mouse Ear Swelling Test (MEST) - Not classified
Skin Irritation · Screening - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to EU Method B.4 (Acute Toxicity: Dermal Irritation / Corrosion) according to - Category 6.4A (Category 2A)
Eye Irritation · Read Across - Classification not possible
Eye Irritation · Screening - Severe Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to EU Method B.5 (Acute Toxicity: Eye Irritation / Corrosion) according to
Source: US EPA CompTox dashboard
Related literature
- Toxicological perspectives on potential mixture toxicity of alpha-hexylcinnamaldehyde and lilial in consumer products. · 2026
- IN SILICO TOXIC EFFECTS OF 2-(4-TERT-BUTYLPHENYL) PROPANAL, 3-(4-TERT-BUTYLPHENYL)-2-METHYLPROPANAL AND LILAL MOLECULES AND PREGNANCY · 2025
- Effect of cooking conditions on sea urchin dumplings. · 2024
Linked databases 19
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea Cosmetic Association ingredient dictionary
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- MFDS (Korea) cosmetic ingredient register 2
- NIST Chemistry WebBook
- PubChem
- Tlooto literature search 2 3
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- US National Toxicology Program reports
- Wikidata
- Wikipedia · English · Japanese · Chinese