Alpha-irone is a methyl ketone that is alpha-ionone in which a hydrogen at position 5 of the cyclohex-2-en-1-yl ring is substituted by a methyl group.
Definition
Alpha-irone is a methyl ketone that is alpha-ionone in which a hydrogen at position 5 of the cyclohex-2-en-1-yl ring is substituted by a methyl group. It is an enone and a methyl ketone. It is functionally related to an alpha-ionone.
Source: PubChem
US FDA substance register · UNII O3M0L879K6 · registered name .ALPHA.-IRONE · mixture
Cosmetic roles
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 79-69-6
- EC No.EU chemical inventory number
- 201-219-6
- DTXSIDUS EPA chemical ID
- DTXSID4047042
- DTXCIDUS EPA compound ID
- DTXCID2027042
- IUPAC
- (3E)-4-(2,5,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one
- Molecular formula
- C14H22O
- Molecular weight
- 206.329 g/mol
Measured properties
- Appearance
- Solid · colourless to pale yellow liquid
- Boiling point
- 110.00 to 112.00 °C. @ 3.00 mm Hg · 110 -112 °C (3.2 mm Hg)
- Melting point
- < 25 °C
- Solubility
- 110 mg/L @ 20 °C (exp) · 1 ml in 4 ml 70% alcohol (in ethanol)
- Density
- 0.932-0.939
Values measured on the substance itself, not a specification for a commercial raw material.
Source: PubChem
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
1 skin studies and 2 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 3 studies
- Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to - Studies Indicate No Significant 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 - Studies Indicate No Significant Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) Pre-dates but broadly comparable to OECD 405 equivalent or similar to
Source: US EPA CompTox dashboard
Linked databases 14
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea Cosmetic Association ingredient dictionary
- MFDS (Korea) cosmetic ingredient register 2
- NIST Chemistry WebBook
- PubChem 2
- 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