3-methylbut-2-enal is an enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.
Definition
3-methylbut-2-enal is an enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1. It has a role as a metabolite. It is functionally related to a 3-methylbut-2-enoic acid.
Source: PubChem
US FDA substance register · UNII 2JZ2B60W76 · registered name SENECIALDEHYDE · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 107-86-8
- EC No.EU chemical inventory number
- 203-527-6
- DTXSIDUS EPA chemical ID
- DTXSID8029606
- DTXCIDUS EPA compound ID
- DTXCID509606
- IUPAC
- 3-Methylbut-2-enal
- Molecular formula
- C5H8O
- Molecular weight
- 84.118 g/mol
Measured properties
- Appearance
- liquid
- Melting/freezing point
- 20 ℃
- Initial boiling point and range
- 136 ℃
- Flash point
- 37 ℃
- Upper/lower flammability or explosive limits
- 1.8 / 7 %
- Vapour pressure
- 0.75 ㎪
- Water solubility
- 110 g/ℓ
- Vapour density
- 2.9
- n-Octanol/water partition coefficient (Kow)
- 0.53
- Auto-ignition temperature
- 145 ℃
- Molecular weight
- 84.12
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 5 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
- Flavouring and nutrient2
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
3 skin studies and 1 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 4 studies
- High Frequency of Sensitization
skin sensitisation: in vivo (non-LLNA) · Screening · according to EU Method B.6 (Skin Sensitisation) Cited as Directive 84/449/EEC, B.6 - Category 1C
Skin Irritation · Screening - Category 1B
Skin Sensitization · Screening - Category 1
Eye Irritation · Screening
Source: US EPA CompTox dashboard
Linked databases 14
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem
- 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)
- Wikidata