Good Fragrance NOAEL Data Sensitization Data Dermal Penetration

Alpha-Isomethyl Ionone

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.

View industrial chemical safety profile for CAS 127-51-5 →

Auto-generated CPSR Part A draft with source citations
Function
Fragrance ingredient
Safety Rating
GOOD

Chemistry & Identifiers

EC Number
204-846-3

Regulatory Status

EU EU Status permitted
US US Status permitted

For full compliance data across multiple jurisdictions, use the Substance Compliance tool.

Safety Data

Margin of Safety, dermal absorption, and sensitization profile summaries for Alpha-Isomethyl Ionone.

Calculate MoS for your specific formulation with the MoS Calculator.

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: 1B Human: 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.

SA Saudi SFDA (III - Restricted)
BRIN Brazil/India Cosmetics
Brazil: Restricted (Fragrance Allergen) · max >0.001% leave-on / >0.01% rinse-off requires labeling
India: Restricted

Additional Ingredient Properties

6 property records from structured ingredient metadata.

allergen_detail
{"eu_allergen_listed": "yes", "allergen_class": "fragrance", "cross_reactivity_group": "fragrance-mix-II", "patch_test_frequency_pct": "0.5", "sensitization_rate": "low", "common_reaction_type": "contact-dermatitis", "ifra_restricted": "yes", "source": "ESSCA/IVDK"}
dermal_absorption
{"molecular_weight_da": "206.3", "log_p_value": "3.9", "skin_penetration_level": "epidermis", "penetration_depth": "epidermis", "absorption_pct": "15-25", "systemic_absorption": "yes", "penetration_enhancer": "yes", "occlusion_effect": "no", "vehicle_dependent": "yes", "skin_barrier_effect": "neutral", "bioavailability_topical_pct": "10-20", "safety_margin_factor": "high", "source": "SCCS/1459/11,…
fragrance
{"cas_number": "127-51-5", "ingredient_class": "aroma_chemical", "chemical_class": "ionone", "odor_family": "floral", "odor_description": "Violet-like, orris, powdery, woody", "odor_strength": "strong", "odor_tenacity_hours": "72.0", "top_note": "no", "heart_note": "yes", "base_note": "yes", "blending_factor_1_10": "8.0", "threshold_of_detection_ppb": "25.0", "molecular_weight_Da": "206.32", "boil…
pregnancy_detail
{"pregnancy_safe": "insufficient-data", "breastfeeding_safe": "insufficient-data", "risk_category": "not-rated", "reason": "Fragrance allergen; limited pregnancy data", "alternative_ingredient": "Fragrance-free", "source": "dermatology literature"}
regulatory
{"eu_status": "restricted", "us_status": "allowed", "eu_max_concentration": "0.001", "restricted_in": "rinse-off: >0.01%, leave-on: >0.001%", "regulation_reference": "Annex III/205"}
skin_suitability
{"oily_skin": "caution", "dry_skin": "caution", "sensitive_skin": "caution", "combination_skin": "caution", "normal_skin": "caution", "acne_prone": "caution", "rosacea": "caution", "eczema": "caution", "hyperpigmentation": "caution", "aging_mature": "caution", "dehydrated": "caution", "skin_benefit_primary": "fragrance", "skin_benefit_secondary": "violet-scent", "mechanism_of_action": "Synthetic v…

Function Categories & List Membership

Cosmetic/Chemical Function Categories
Deodorizer Flavouring and nutrient Fragrance Softener and conditioner
Regulatory List Membership (4)
EU Restricted for Children (Cosmetics) IFRA Fragrance Transparency List FDA Substances Added to Food (EAFUS) EU CosIng Cosmetics Ingredient Database

Expert Verdict

Expert safety assessment and concern-level summary for Alpha-Isomethyl Ionone.

Regulatory Flags

eu_children_restricted ifra_fragrance fda_food_additive eu_cosing_listed

NOAEL Studies Summary

View details ->

Public NOAEL study rows linked to Alpha-Isomethyl Ionone by CAS number or substance name.

Studies
2
Lowest NOAEL
4.1 mg/kg bw/day
Highest NOAEL
500 mg/kg bw/day
COSMOS DB ECHA

Known Synonyms

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 α-Ionone, isomethyl- EINECS 204-846-3 FEMA No. 2714 alpha-Ionone, isomethyl- Isomethyl-alpha-ionone Methyl-alpha-isoionone NSC 66432 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one alpha-Cetone UNII-9XP4LC555B

Chemical Function

Fragrance

Regulatory Lists

Europe; Personal care; restricted inert_ingredient; non_food_use; Pesticides Europe Cleaning products and household care - air freshener; detected; Europe; Vehicle - car interior - auto air freshener children; Europe; Personal care - specialized bath products - bath salts children; Europe; Personal care - general moisturizing - hand/body lotion IFRA Transparency Europe; Personal care - body hygiene - hand soap children; Europe; Personal care children; Europe; Personal care Europe; Personal care - deodorant Europe Cleaning products and household care - laundry and fabric treatment - laundry detergent; Europe children; detected; Europe; Personal care - body hygiene - body wash; Personal care - fragrance; Personal care - general moisturizing - hand/body lotion; Personal care - specialized bath products - bubble bath children; detected; Europe; Personal care detected; Europe; Personal care - deodorant detected; Europe; Personal care - deodorant food_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.

SOURCE ChEMBL / DrugCentral / FAERS DB_PHARMA CAS match

Pharmaceutical Data

Same-CAS rows from the pharmaceutical spoke database.

ChEMBL ID
CHEMBL3183353
View full pharmaceutical profile →
SOURCE EFSA / FDA GRAS food_additives

Food Safety Data

Same-CAS food additive or FDA GRAS records from the core public database.

Food Name
ALPHA-ISOMETHYLIONONE
Food Category
flavoring
View full food safety profile →

Frequently Asked Questions

Is Alpha-Isomethyl Ionone safe in cosmetics?

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.

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Good Chemical family
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Good Chemical family
Fragrance (Perfuming)

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