What is the NOAEL for 3-Methylbutanal?
3-Methylbutanal has 28 NOAEL studies in the database. The lowest reported value is 69931RWI96 UNII. Source: openFDA substances.
NOAEL Data
REACH Registered
Cosmetic Ingredient
3-Methylbutanal
Also known as: Isovaleraldehyde, 4-01-00-03291, BRN 0773692, 1-Butanal, 3-methyl-, EINECS 209-691-5 (+15 more)
CAS 590-86-3
3-Methylbutanal (CAS 590-86-3) is a chemical substance. Key regulatory status: REACH registered, 6 regulatory/inventory lists, cosmetic ingredient cross-reference; source data from EPA ToxValDB, EPA CPDat, AICIS, ECHA REACH, ILO ICSC.
Cross-Vertical Regulatory Divergence
3-Methylbutanal is classified GHS Danger (H225, H317, H319, H335, H411, H315, H332) in the chemicals database but is allowed in EU cosmetics.
SOURCE
Cross-vertical comparison
Cosmetics: ingredients.eu_status; Chemicals: ghs_classifications.signal_word/hazard_statement_code
SOURCE
noael studies public
NOAEL studies
28
SOURCE
chemical inventory jurisdictions
Regulatory lists
6
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
26 fields
Name
3-Methylbutanal
CAS Number
590-86-3
DTXSID
DTXSID1021619
Molecular Formula
C5H10O
InChI Key
YGHRJJRRZDOVPD-UHFFFAOYSA-N
Monoisotopic Mass
86.073165
Synonyms
Isovaleraldehyde4-01-00-03291BRN 07736921-Butanal, 3-methyl-EINECS 209-691-5FEMA No. 26922-Methylbutanal-43-Methylbutylaldehydebeta-MethylbutyraldehydeAldehyde isovalerianiqueUNII-69931RWI963-Methyl-Butanal
ICSC Chemical Safety
International Chemical Safety Card hazard and exposure summary.
SOURCE
ILO/WHO International Chemical Safety Cards
1 records
| Field | Value |
|---|---|
| GHS Signal Word | DANGER |
| GHS Hazard Statements | Highly flammable liquid and vapour Causes mild skin irritation Causes eye irritation May be harmful if swallowed and enters airways Toxic to aquatic life |
| Short-term Effects | The substance is irritating to the eyes and respiratory tract. The substance is mildly irritating to the skin. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis. |
Functional Uses
Industrial and product-use categories associated with this substance.
SOURCE
EPA CPDat
5 records
DeodorizerFragranceFlavouring and nutrient
Regulatory Lists
Inventory, screening, and regulatory list matches from public chemical databases.
SOURCE
EPA CPDat
6 records
| List | Keyword | Source |
|---|---|---|
| air; detected; emissions; Europe; Toys and children's products | Danish Environmental Protection Agency | Danish EPA |
| air; detected; emissions; Europe; Other direct contact consumer goods | Danish Environmental Protection Agency | Danish EPA |
| air; detected; emissions; Europe; Toys and children's products | Danish Environmental Protection Agency | Danish EPA |
| Europe | European Commission | Fl@vis |
| IFRA Transparency | IFRA | IFRA |
| 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 28 of 28 studies
| Value | Unit | Endpoint | Route | Species | Source |
|---|---|---|---|---|---|
| 69931RWI96 | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 69931RWI96 | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 69931RWI96 | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| 69931RWI96 | UNII | FDA UNII substance identifier | - | - | openFDA substances |
| - | % | Incidence of positive responses | Dermal | Human | NTP_ICE_skin_sensitization |
| 675 | ug/cm2 | Induction dose per skin area | Dermal | Human | NTP_ICE_skin_sensitization |
| 42.7 | mg/L | LC50 | Inhalation | - | NTP_ICE_acute_inhalation |
| >3200 | mg/kg bw | LD50 | oral | Rat | NTP_ICE_acute_oral |
| =5600 | mg/kg bw | LD50 | oral | Rat | NTP_ICE_acute_oral |
| =5740 | mg/kg bw | LD50 | oral | Rat | NTP_ICE_acute_oral |
| =7100 | mg/kg bw | LD50 | oral | Rat | NTP_ICE_acute_oral |
| =50 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_EFSA |
| =50 | mg/kg bw/day | NOAEL | oral: gavage | Rat | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| =125 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_EFSA |
| =125 | mg/kg bw/day | NOAEL | oral: gavage | Rat | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| >219 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_EFSA |
| >219 | mg/kg bw/day | NOAEL | oral: unspecified | Rat | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| >300 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_EFSA |
| >300 | mg/kg bw/day | NOAEL | oral: feed | Rat | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| =340 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_EFSA |
| =340 | mg/kg bw/day | NOAEL | oral: drinking water | Rat | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| >1000 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_EFSA |
| >1000 | mg/kg bw/day | NOAEL | oral: gavage | Rat | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| >1450 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_EFSA |
| >1450 | mg/kg bw/day | NOAEL | oral: drinking water | Rat | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| >2500 | mg/kg bw/day | NOAEL | oral | Rat | ToxValDB_EFSA |
| >2500 | mg/kg bw/day | NOAEL | oral: feed | Rat | EFSA_OpenFoodTox_EFSA_ReferencePoints.xlsx |
| 3 | unitless | Relative reliability score | Dermal | Human | NTP_ICE_skin_sensitization |
Showing 28 of 28 studies
REACH Registration
Registration status from the ECHA REACH registered substances database.
SOURCE
ECHA (EU)
1 records
| Status | Name | EC Number | Link |
|---|---|---|---|
| Registered | Isovaleraldehyde | 209-691-5 | ECHA overview → |
Australian Status (AICIS)
Australian industrial chemicals inventory status and applicable conditions.
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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
EMBL-EBI ChEMBL
CHEMBL18360
ChEMBL Phase
Not listed
Adverse Events
0
Bioactivity
0
Food Safety Data
Same-CAS food additive, ADI, and GRAS records where available.
SOURCE
EFSA / FDA GRAS
1 records
ADI: No safety concern at current levels of intake when used as a flavouring agent mg/kg bw
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 3-Methylbutanal?
3-Methylbutanal appears on 5 regulatory/inventory lists including air; detected; emissions; Europe; Toys and children's products, air; detected; emissions; Europe; Other direct contact consumer goods, Europe, and 2 more. Source: EPA CPDat.
Is 3-Methylbutanal used in cosmetics?
Yes, 3-Methylbutanal is also indexed as a cosmetic ingredient under the name Isopentanal. 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 3-Methylbutanal come from?
Safety data is sourced from EPA ToxValDB, EPA CPDat, AICIS (Australian Industrial Chemicals Introduction Scheme), EPA DSSTox, ECHA REACH, ILO/WHO ICSC, 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.
Does 3-Methylbutanal have different safety status in cosmetics vs industrial chemicals?
3-Methylbutanal is classified GHS Danger (H225, H317, H319, H335, H411, H315, H332) in the chemicals database but is allowed in EU cosmetics.
Is 3-Methylbutanal used outside industrial chemicals?
3-Methylbutanal also appears in cosmetics, pharmaceutical, food safety, cannabis databases.