What is the NOAEL for Alpha-Isomethylionone?
Alpha-Isomethylionone has 38 NOAEL studies in the database. The lowest reported value is 0 % via Dermal. Source: NTP ICE skin sensitization.
NOAEL Data
REACH Registered
Cosmetic Ingredient
Alpha-Isomethylionone
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)
CAS 127-51-5
Alpha-Isomethylionone (CAS 127-51-5) is a chemical substance. Key regulatory status: REACH registered, 18 regulatory/inventory lists, cosmetic ingredient cross-reference; source data from EPA ToxValDB, EPA CPDat, AICIS, ECHA REACH.
SOURCE
NOAEL studies
NOAEL studies
38
SOURCE
Chemical inventory jurisdictions
Regulatory lists
18
SOURCE
EU CLP Annex VI
GHS signal
Not classified
Chemical Identity
CAS, identifiers, formula, and alternate names for the matched substance record.
SOURCE
DSSTox identifiers
21 fields
Name
Alpha-Isomethylionone
CAS Number
127-51-5
DTXSID
DTXSID7027047
Molecular Formula
C14H22O
InChI Key
JRJBVWJSTHECJK-UHFFFAOYSA-N
Monoisotopic Mass
206.167065
Synonyms
3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-Isomethyl-α-iononeCetone Alpha3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-oneα-Cetoneα-Ionone, isomethyl-EINECS 204-846-3FEMA No. 2714alpha-Ionone, isomethyl-Isomethyl-alpha-iononeMethyl-alpha-isoiononeNSC 66432
Functional Uses
Industrial and product-use categories associated with this substance.
SOURCE
EPA CPDat
60 records
FragranceSoftener and conditionerDeodorizerFlavouring and nutrient
Regulatory Lists
Inventory, screening, and regulatory list matches from public chemical databases.
SOURCE
EPA CPDat
18 records
| List | Keyword | Source |
|---|---|---|
| Europe; Personal care; restricted | European Commission | CosIng |
| inert_ingredient; non_food_use; Pesticides | EPA | CPCat |
| Europe | Danish Environmental Protection Agency | Danish EPA |
| Cleaning products and household care - air freshener; detected; Europe; Vehicle - car interior - auto air freshener | Danish Environmental Protection Agency | Danish EPA |
| children; Europe; Personal care - specialized bath products - bath salts | Danish Environmental Protection Agency | Danish EPA |
| children; Europe; Personal care - general moisturizing - hand/body lotion | Danish Environmental Protection Agency | Danish EPA |
| IFRA Transparency | IFRA | IFRA |
| Europe; Personal care - body hygiene - hand soap | Danish Environmental Protection Agency | Danish EPA |
| children; Europe; Personal care | Danish Environmental Protection Agency | Danish EPA |
| children; Europe; Personal care | Danish Environmental Protection Agency | Danish EPA |
| Europe; Personal care - deodorant | Danish Environmental Protection Agency | Danish EPA |
| Europe | European Commission | Fl@vis |
| Cleaning products and household care - laundry and fabric treatment - laundry detergent; Europe | Danish EPA | Danish EPA |
| 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 | Danish Environmental Protection Agency | Danish EPA |
| children; detected; Europe; Personal care | Danish Environmental Protection Agency | Danish EPA |
| detected; Europe; Personal care - deodorant | Danish Environmental Protection Agency | Danish EPA |
| detected; Europe; Personal care - deodorant | Danish Environmental Protection Agency | Danish EPA |
| food_additive; Substances Added to Food (formerly EAFUS) (2/2019) | FDA | United States Food and Drug Administration (FDA) |
NOAEL Studies
Toxicology endpoints rendered from public NOAEL study rows.
SOURCE
NOAEL studies
Showing 38 of 38 studies
| Value | Unit | Endpoint | Route | Species | Source |
|---|---|---|---|---|---|
| 18.7250137139806 | uM | AC50 | - | - | NTP ICE endocrine |
| 13.5084895145576 | uM | ACC | - | - | NTP ICE endocrine |
| 52.47 | ug/mL | CD54, EC200 | Dermal | - | NTP ICE skin sensitization |
| 22.28 | ug/mL | CD86, EC150 | Dermal | - | NTP ICE skin sensitization |
| 35.85 | ug/mL | CV70 | Dermal | - | NTP ICE skin sensitization |
| 62.3 | ug/mL | CV75 | Dermal | - | NTP ICE skin sensitization |
| 10.8 | uL/min/10^6 cells | Clint | - | Human | NTP ICE adme parameters |
| =8.22 | mg/m3 | DNEL systemic | inhalation | Human | ToxValDB GESTIS DNEL |
| 4.5 | % | Depletion Cys | Dermal | - | NTP ICE skin sensitization |
| - | % | Depletion Lys | Dermal | - | NTP ICE skin sensitization |
| >2000 | uM | EC1.5 | Dermal | - | NTP ICE skin sensitization |
| 4000 | uM | EC1.5 | Dermal | - | NTP ICE skin sensitization |
| 21.8 | % | EC3 | Dermal | Mouse | NTP ICE skin sensitization |
| 21.8 | % | EC3 | Dermal | Mouse | NTP ICE skin sensitization |
| 21.8 | % | EC3 | Dermal | Mouse | NTP ICE skin sensitization |
| 21.8 | % | EC3 | Dermal | Mouse | NTP ICE skin sensitization |
| 9XP4LC555B | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 9XP4LC555B | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 9XP4LC555B | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 9XP4LC555B | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 0.006334 | fraction | Fu | - | Human | NTP ICE adme parameters |
| 60.03 | uM | IC50 | Dermal | - | NTP ICE skin sensitization |
| 1.028 | ratio | Imax | Dermal | - | NTP ICE skin sensitization |
| 1.03 | ratio | Imax | Dermal | - | NTP ICE skin sensitization |
| - | % | Incidence of positive responses | Dermal | Human | NTP ICE skin sensitization |
| 1860 | ug/cm2 | Induction dose per skin area | Dermal | Human | NTP ICE skin sensitization |
| 6200 | ug/cm2 | Induction dose per skin area | Dermal | Human | NTP ICE skin sensitization |
| 9688 | ug/cm2 | Induction dose per skin area | Dermal | Human | NTP ICE skin sensitization |
| 70870 | ug/cm2 | Induction dose per skin area | Dermal | Human | NTP ICE skin sensitization |
| - | unitless | Model Score | - | - | NTP ICE endocrine |
| 0.0185 | unitless | Model Score | - | - | NTP ICE endocrine |
| >=3.55 | mg/kg bw/day | NOAEL | oral | Rat | ECHA |
| 4.1 | mg/kg bw/day | NOAEL | oral | rat | COSMOS DB |
| >=4.1 | mg/kg bw/day | NOAEL | oral | Rat | ECHA |
| >=30 | mg/kg bw/day | NOAEL | oral | Rat | ECHA |
| =500 | mg/kg bw/day | NOAEL | oral | Rat | ECHA |
| 3 | unitless | Relative reliability score | Dermal | Human | NTP ICE skin sensitization |
| 4 | unitless | Relative reliability score | Dermal | Human | NTP ICE skin sensitization |
Showing 38 of 38 studies
REACH Registration
Registration status from the ECHA REACH registered substances database.
SOURCE
ECHA
1 records
| Status | Name | EC Number | Link |
|---|---|---|---|
| Registered | 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one | 204-846-3 | ECHA overview → |
Australian Status (AICIS)
Australian industrial chemicals inventory status and applicable conditions.
SOURCE
AICIS inventory
1 records
Inventory Status
listed
Cosmetic Safety Profile
Same-CAS cosmetic ingredient record for cross-vertical context.
SOURCE
CosIng / Ingredients DB
EU Status
permitted
Max
-
Category
fragrance
Pharmaceutical Data
Same-CAS pharmaceutical records from drug and bioactivity sources.
SOURCE
ChEMBL / DailyMed
CHEMBL3183353
ChEMBL Phase
Not listed
Adverse Events
0
Bioactivity
0
Food Safety Data
Same-CAS food additive, ADI, and GRAS records where available.
SOURCE
EFSA
1 records
1 food-safety record found.
View full food safety profile →Cannabis Data
Same-CAS cannabis compliance and lab records where available.
SOURCE
Cannabis regulatory / lab data
efsa substances
1 cannabis record found in efsa substances.
View full cannabis profile →Frequently Asked Questions
What regulatory lists include Alpha-Isomethylionone?
Alpha-Isomethylionone appears on 15 regulatory/inventory lists including Europe; Personal care; restricted, inert_ingredient; non_food_use; Pesticides, Europe, and 12 more. Source: EPA CPDat.
Is Alpha-Isomethylionone used in cosmetics?
Yes, Alpha-Isomethylionone is also indexed as a cosmetic ingredient under the name Alpha-Isomethyl Ionone. View the full cosmetic safety profile on the ingredient page for detailed safety data, SCCS opinions, and regulatory status.
Where does the safety data for Alpha-Isomethylionone come from?
Safety data is sourced from EPA ToxValDB, EPA CPDat, AICIS (Australian Industrial Chemicals Introduction Scheme), EPA DSSTox, ECHA REACH, CosIng / Ingredients DB, ChEMBL / DailyMed, EFSA / FDA GRAS, cannabis regulatory/lab databases. All data traces to primary regulatory sources and is updated from official government databases.
Is Alpha-Isomethylionone used outside industrial chemicals?
Alpha-Isomethylionone also appears in cosmetics, pharmaceutical, food safety, cannabis databases.