Also known as: 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, Isomethyl-α-ionone, Cetone Alpha, 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one, α-Cetone (+10 more)
INCI: ALPHA-ISOMETHYL IONONE
Alpha-Isomethyl Ionone (CAS 127-51-5) is a cosmetic fragrance functioning as Fragrance ingredient. NOAEL 3.55 mg/kg bw/day (cross-referenced against ToxValDB ECHA IUCLID); EU Regulation 1223/2009 status: permitted. Industrial safety data is also available in the chemical safety database. Same-CAS public records also appear in industrial chemical safety, pharmaceutical, and food safety data.
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Safety Data
Margin of Safety, dermal absorption, and sensitization profile summaries for Alpha-Isomethyl Ionone.
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Toxicological Studies
2 study endpoints found for Alpha-Isomethyl Ionone. NOAEL (No Observed Adverse Effect Level) values are used to calculate the Margin of Safety per SCCS methodology.
Endpoint
Value
Route
Species
Study Type
Source
NOAEL
4.1 mg/kg bw/day
oral
rat
Subchronic
COSMOS DB
NOAEL
=500 mg/kg bw/day
oral
Rat
reproduction developmental
ECHA
Pre-Calculated Safety Assessment
Pre-calculated NOAEL → SED → MoS audit trail for Alpha-Isomethyl Ionone across SCCS product categories, with measured dermal absorption where available.
Sensitization Profile
Contact sensitization data for Alpha-Isomethyl Ionone based on clinical patch test studies and IFRA standards.
Sensitization Rate
low
Allergen Class
fragrance
EU Allergen Listed
yes
Patch Test Positive Rate
0.5%
Cross-reactivity Group
fragrance-mix-II
Reaction Type
contact-dermatitis
IFRA Restricted
Source: ESSCA/IVDK
Dermal Penetration Profile
Skin absorption and penetration characteristics of Alpha-Isomethyl Ionone, relevant to systemic exposure and MoS calculations.
Absorption %
15-25%
Penetration Level
epidermis
Penetration Depth
epidermis
Molecular Weight
206.3 Da
Log P
3.9
Systemic Absorption
yes
Topical Bioavailability
10-20%
Safety Margin Factor
high
Vehicle Dependent
Yes — absorption varies by formulation
Source: SCCS Opinion
Sensitization AOP Dashboard
Adverse Outcome Pathway data across 5 assays (DPRA, KeratinoSens, hCLAT, LLNA, NESIL) aggregated from public sources.
DPRA Cys %
4.94%
DPRA Lys %
0.2%
KeratinoSens IC50
60.025 µM
hCLAT CV75
62.3 µg/mL
LLNA EC3
21.8%
NESIL
1860 µg/cm²
LLNA: Weak (1B)GHS: 1BHuman: positive
Source: LLNA: Kern et al. (2010); DPRA: Hoffmann et al., 2018 | Urbisch et al. 2015 [DOI:10.1016/j.yrtph.2014.12.008]; KS: Natsch et al. 2015 [DOI:10.1093/toxsci/kfu229] | Urbisch et al. 2015 [DOI:10.1016/j.yrtph.2014.12.008]; hCLAT: Urbisch et al. 2015 [DOI:10.1016/j.yrtph.2014.12.008]; HPPT: [285] RIFM (1968): RIFM report number 15453, November 18, unpublished.
HRIPT Human Patch Test Studies
5 human repeat insult patch tests aggregated from dermatological literature.
Test Type
N
Sensitized
Dose µg/cm²
NESIL µg/cm²
Potency
HRIPT
106
0
70860
70860
non-sensitizer
HRIPT
-
0
1860
-
-
HRIPT
-
0
6200.01
-
-
HRIPT
-
0
9687.52
-
-
HRIPT
-
0
70866.14
-
-
Endocrine Disruptor Evidence (Expanded)
Cross-referenced EDC classifications, mechanism data, and dose-response evidence from EDLists, SIN List, and cosmetic-specific detail sources.
Cosmetic-Specific Mechanism
Category:fragrance
Receptor targets:ERα (limited)
LOEC:100 µM
EU status:allowed (allergen labeling)
weak modulator
ECHA REACH Registration
European Chemicals Agency REACH dossier and Substances of Very High Concern listing.
Registration Type
Full
Tonnage Band
100 - 1,000 tonnes
Substance Type
SUBSTANCE
SVHC Candidate
No
Expanded Jurisdictional Detail
Additional regulatory detail beyond the 7-jurisdiction summary: Saudi SFDA, Korea MFDS, ASEAN ACD, Japan/Korea, Brazil/India, and cross-jurisdictional restriction entries.
Europe; Personal care; restrictedinert_ingredient; non_food_use; PesticidesEuropeCleaning products and household care - air freshener; detected; Europe; Vehicle - car interior - auto air freshenerchildren; Europe; Personal care - specialized bath products - bath saltschildren; Europe; Personal care - general moisturizing - hand/body lotionIFRA TransparencyEurope; Personal care - body hygiene - hand soapchildren; Europe; Personal carechildren; Europe; Personal careEurope; Personal care - deodorantEuropeCleaning products and household care - laundry and fabric treatment - laundry detergent; Europechildren; detected; Europe; Personal care - body hygiene - body wash; Personal care - fragrance; Personal care - general moisturizing - hand/body lotion; Personal care - specialized bath products - bubble bathchildren; detected; Europe; Personal caredetected; Europe; Personal care - deodorantdetected; Europe; Personal care - deodorantfood_additive; Substances Added to Food (formerly EAFUS) (2/2019)
Australian Status
AICIS status:listed
Cross-Vertical Safety Context
Same-CAS public records found in pharmaceutical and food safety data.
SOURCEChEMBL / DrugCentral / FAERSDB_PHARMA CAS match
Pharmaceutical Data
Same-CAS rows from the pharmaceutical spoke database.
Alpha-Isomethyl Ionone has a safety rating of "GOOD" in our database. EU status: permitted. US status: permitted. 2 toxicological study endpoint(s) are available in our database.
Is Alpha-Isomethyl Ionone allowed in the EU?
Alpha-Isomethyl Ionone EU regulatory status: permitted. This is based on EU Regulation 1223/2009 and its amendments.
What does Alpha-Isomethyl Ionone do in cosmetics?
Alpha-Isomethyl Ionone functions as: Fragrance ingredient. It is classified as a Fragrance in our database. CAS number: 127-51-5.
What is the NOAEL for Alpha-Isomethyl Ionone?
The NOAEL (No Observed Adverse Effect Level) for Alpha-Isomethyl Ionone is 4.1 mg/kg bw/day based on a Subchronic study via oral route in rat. A total of 2 study endpoints are available. Source: COSMOS DB.
Is Alpha-Isomethyl Ionone used outside cosmetics?
Alpha-Isomethyl Ionone also appears in industrial chemical safety, pharmaceutical, and food safety data. The cross-vertical cards on this page render same-CAS public rows from the matched databases.
Compliance Tools
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