Poor Cosmetic Ingredient NOAEL Data Sensitization Data

Butylphenyl Methylpropional (Lilial)

Also known as: Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal), Lilial, Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-, Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-, 4-07-00-00802 (+10 more)

INCI: BUTYLPHENYL METHYLPROPIONAL

Butylphenyl Methylpropional (Lilial) (CAS 80-54-6) is a cosmetic cosmetic ingredient functioning as Fragrance, Masking. NOAEL 4.5 mg/kg bw/day (PDF-verified against ToxValDB ECHA IUCLID); EU Regulation 1223/2009 status: prohibited. Industrial safety data is also available in the chemical safety database. Same-CAS public records also appear in industrial chemical safety and pharmaceutical data.

View industrial chemical safety profile for CAS 80-54-6 →

Auto-generated CPSR Part A draft with source citations
CAS Number
80-54-6
View industrial chemical safety profile →
Function
Fragrance, Masking
Safety Rating
POOR

Chemistry & Identifiers

Formula
C14H20O
MW
204.31 g/mol
EC Number
201-289-8
PubChem CID
228987
IUPAC Name
3-(4-tert-butylphenyl)-2-methylpropanal
InChIKey
SDQFDHOLCGWZPU-UHFFFAOYSA-N
UNII: T7540GJV69 Wikidata: Q209290

Regulatory Status

EU EU Status prohibited
US US Status prohibited
US Notes Inadequate - Cannot be established; CMR 1B classification precludes safety demonstration without prohibited animal tests

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

Safety Data

Margin of Safety, dermal absorption, and sensitization profile summaries for Butylphenyl Methylpropional (Lilial).

Calculate MoS for your specific formulation with the MoS Calculator.

Toxicological Studies

10 study endpoints found for Butylphenyl Methylpropional (Lilial). 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 =0.0281 mg/kg bw oral rat NOAEL study SCCS_vision_codex
NOAEL =0.0281 mg/kg bw oral rat NOAEL study SCCS_vision_codex
NOAEL =0.0281 mg/kg bw oral rat NOAEL study SCCS_vision_codex
NOAEL =0.0281 mg/kg bw oral rat NOAEL study SCCS_vision_codex
NOAEL =1.4 mg/kg bw oral rat NOAEL study SCCS_vision_codex
NOAEL =1.4 mg/kg bw oral rat NOAEL study SCCS_vision_codex
NOAEL =1.4 mg/kg bw oral rat NOAEL study SCCS_vision_codex
NOAEL =1.4 mg/kg bw oral rat NOAEL study SCCS_vision_codex
NOAEL =4.5 mg/kg bw/d - - reproductive toxicity SCCS_vision_codex
NOAEL =4.5 mg/kg bw/d - - reproductive toxicity SCCS_vision_codex

Pre-Calculated Safety Assessment

Pre-calculated NOAEL → SED → MoS audit trail for Butylphenyl Methylpropional (Lilial) across SCCS product categories, with measured dermal absorption where available.

Sensitization Profile

Contact sensitization data for Butylphenyl Methylpropional (Lilial) based on clinical patch test studies and IFRA standards.

Sensitization Rate
moderate
Allergen Class
fragrance
EU Allergen Listed
yes
Patch Test Positive Rate
1.5%
Cross-reactivity Group
none
Reaction Type
contact-dermatitis
IFRA Restricted

Source: ESSCA/SCCS (banned 2022)

EU CLP Annex VI Harmonized Classification

Legally binding harmonized classification per Regulation (EC) No 1272/2008 (CLP) Annex VI.

Signal Word
Danger
Pictograms
Health Hazard
Hazard Class and Category
Repr. 1B
Hazard Statements
  • H360Fd

Inserted via ATP: ATP15

Sensitization AOP Dashboard

Adverse Outcome Pathway data across 5 assays (DPRA, KeratinoSens, hCLAT, LLNA, NESIL) aggregated from public sources.

DPRA Cys %
10.6%
DPRA Lys %
0.79%
KeratinoSens IC50
172.5 µM
hCLAT CV75
39.4 µg/mL
LLNA EC3
8.6%
NESIL
2592 µg/cm²
LLNA: Moderate (1B) GHS: 1B Human: positive

Source: LLNA: RIFM (RIFM DB #38311) | RIFM (RIFM DB #37065); DPRA: Gerberick et al. 2007 [DOI:10.1093/toxsci/kfm064] | Nukada et al. 2013 [DOI:10.1016/j.tiv.2012.11.006]; KS: Natsch et al. 2013 [DOI:10.1002/jat.2868] | Unilever commissioned, Covance; hCLAT: Ashikaga et al. 2010 [DOI:10.1177/026119291003800403] | Unilever commissioned, IIVS; HPPT: [278] Kligman AM (1972): Report to RIFM, 18 February, 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 119 2 29525 - -
HRIPT 106 0 29525 29525 non-sensitizer
HMT - 0 2592 - -
HMT - 0 3240 - -
HRIPT - 0 29528 - -

Endocrine Disruptor Evidence (Expanded)

Cross-referenced EDC classifications, mechanism data, and dose-response evidence from EDLists, SIN List, and cosmetic-specific detail sources.

Suspected Evidence: Moderate (2019)
Health effects: Yes
Affected pathways: Estrogenic
Regulatory framework: Cosmetics

Source list: II

Cosmetic-Specific Mechanism
Category: fragrance
Receptor targets: ERα
LOEC: 10 µM
EU status: banned (CMR 1B reproductive toxicant; Annex II from March 2022)

agonist (weak)

ECHA REACH Registration

European Chemicals Agency REACH dossier and Substances of Very High Concern listing.

Registration Type
Full
Tonnage Band
1,000 - 10,000 tonnes
Substance Type
SUBSTANCE
SVHC Candidate
No
Hazard classification: Restricted (Annex XVII)

EU CosIng Annex Listing

European Commission CosIng database Annex references per Regulation (EC) No 1223/2009.

Annex II — Prohibited
Ref: 1666
(EU) 2021/1902

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 (II - Prohibited)
JPKR Japan/Korea Cosmetics
Korea (Restricted): max 0.14
BRIN Brazil/India Cosmetics
Brazil: Restricted (Fragrance Allergen) · max >0.001% leave-on / >0.01% rinse-off requires labeling
India: Prohibited (GNRAS)
Additional Jurisdictional Restrictions (6)
Jurisdiction Status Max % Product Type
AU restricted 0.14 fragrances
UK banned - -
UK restricted - -
ID banned - All cosmetic products prohibited
ID banned 0% All cosmetic products
TH banned 0% All cosmetic products

Expanded Dermal Absorption Data

Cross-database dermal penetration: EPA Dryad physics-based, Roberts Mendeley permeation, and SCCS-aggregated measured values.

Aggregated DA Values (3 records across 5 sources)
Type DA % Method Skin Model SCCS Ref
measured_sccs_opinion 5.0% - - SCCS/1591/17
measured_sccs_opinion 5.0% - - SCCS/1540/14
measured_sccs_opinion 10.5% - - Opinion on the safety of Butylphenyl methylpropional (p-BMHCA) in cosmetic products - Submission II

Additional Ingredient Properties

2 property records from structured ingredient metadata.

allergen_detail
{"eu_allergen_listed": "yes", "allergen_class": "fragrance", "patch_test_frequency_pct": "1.5", "sensitization_rate": "moderate", "common_reaction_type": "contact-dermatitis", "ifra_restricted": "yes", "source": "ESSCA/SCCS (banned 2022)"}
fragrance
{"cas_number": "80-54-6", "ingredient_class": "aroma_chemical", "chemical_class": "aldehyde", "odor_family": "floral", "odor_description": "Strong, floral, lily-of-the-valley, powdery", "odor_strength": "very_strong", "odor_tenacity_hours": "48.0", "top_note": "no", "heart_note": "yes", "base_note": "yes", "blending_factor_1_10": "9.0", "threshold_of_detection_ppb": "0.3", "molecular_weight_Da": "…

PubChem Annotations

Safety and regulatory annotations from PubChem (NCBI) aggregated sources.

Safety (1)
Endocrine Disruptors
Potential endocrine disrupting compound
Source: NORMAN Suspect List Exchange

Function Categories & List Membership

Cosmetic/Chemical Function Categories
Deodorizer Fragrance Preservative
Regulatory List Membership (3)
EU Restricted for Children (Cosmetics) IFRA Fragrance Transparency List EU CosIng Cosmetics Ingredient Database

Expert Verdict

Expert safety assessment and concern-level summary for Butylphenyl Methylpropional (Lilial).

Regulatory Flags

potential-allergen fragrance-component eu_children_restricted ifra_fragrance eu_cosing_listed

NOAEL Studies Summary

View details ->

Public NOAEL study rows linked to Butylphenyl Methylpropional (Lilial) by CAS number or substance name.

Studies
68
Lowest NOAEL
0.0281
Highest NOAEL
50

Units vary across source rows: mg/kg bw/day, mg/kg bw, mg/kg bw/d

SCCS_vision_codex

Dermal Absorption

View details ->
Absorption % Method Vehicle
5.0% SCCS opinion extraction -
5.0% SCCS opinion extraction -
10.5% SCCS opinion extraction -

Known Synonyms

Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- (2-(4-tert-Butylbenzyl)propionaldehyde) (3-(4-tert-butylphenyl)-2-methylpropanal) Lilial Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl- Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl- 4-07-00-00802 BRN 0880140 p-tert-Butyl-alpha-methyldihydrocinnamic aldehyde p-tert-Butyl-alpha-methylhydrocinnamaldehyde p-tert-Butyl-alpha-methylhydrocinnamic aldehyde EINECS 201-289-8 alpha-Methyl, beta-(p-tert-butylphenyl)propionaldehyde alpha-Methyl-p-(tert-butyl)hydrocinnamaldehyde NSC 22275 Propionaldehyde, beta-(4-tert-butylphenyl)-alpha-methyl- UNII-T7540GJV69

Chemical Function

Fragrance

Regulatory Lists

Cleaning products and household care - air freshener; detected; Europe; Vehicle - car interior - auto air freshener Europe inert_ingredient; non_food_use; Pesticides children; Europe; Personal care - specialized bath products - bath salts children; Europe; Personal care - specialized bath products - bubble bath Europe; Personal care - body hygiene - hand soap children; Europe; Personal care children; Europe; Personal care children; Europe; Personal care children; Europe; Personal care Europe; Personal care - deodorant Cleaning products and household care - laundry and fabric treatment - laundry detergent; Europe Cleaning products and household care - dishwasher and dishes - automatic dishwashing detergent; Europe Cleaning products and household care; Europe Cleaning products and household care - air freshener; Europe air; Cleaning products and household care - air freshener; detected; emissions; Europe Cleaning products and household care - air freshener; Europe Cleaning products and household care - dishwasher and dishes; Cleaning products and household care - general household cleaning; Cleaning products and household care - laundry and fabric treatment; detected; Europe; Other direct contact consumer goods

Australian Status

AICIS status: listed

Cross-Vertical Safety Context

Same-CAS public records found in pharmaceutical data.

SOURCE ChEMBL / DrugCentral / FAERS DB_PHARMA CAS match

Pharmaceutical Data

Same-CAS rows from the pharmaceutical spoke database.

ChEMBL ID
CHEMBL1496715
View full pharmaceutical profile →

Frequently Asked Questions

Is Butylphenyl Methylpropional (Lilial) safe in cosmetics?

Butylphenyl Methylpropional (Lilial) has a safety rating of "POOR" in our database. EU status: prohibited. US status: prohibited. 10 toxicological study endpoint(s) are available in our database.

Is Butylphenyl Methylpropional (Lilial) allowed in the EU?

Butylphenyl Methylpropional (Lilial) EU regulatory status: prohibited. This is based on EU Regulation 1223/2009 and its amendments.

What does Butylphenyl Methylpropional (Lilial) do in cosmetics?

Butylphenyl Methylpropional (Lilial) functions as: Fragrance, Masking. It is classified as a cosmetic ingredient in our database. CAS number: 80-54-6.

What is the NOAEL for Butylphenyl Methylpropional (Lilial)?

The NOAEL (No Observed Adverse Effect Level) for Butylphenyl Methylpropional (Lilial) is =0.0281 mg/kg bw based on a NOAEL study study via oral route in rat. A total of 10 study endpoints are available. Source: SCCS_vision_codex.

Is Butylphenyl Methylpropional (Lilial) used outside cosmetics?

Butylphenyl Methylpropional (Lilial) also appears in industrial chemical safety and pharmaceutical data. The cross-vertical cards on this page render same-CAS public rows from the matched databases.

Does Butylphenyl Methylpropional (Lilial) have different safety status in cosmetics vs industrial chemicals?

Butylphenyl Methylpropional (Lilial) is prohibited in EU cosmetics but has active industrial GHS classifications (H302, H315, H317, H360Fd, H361, H411, H412, H336).

Compliance Tools

Check Butylphenyl Methylpropional (Lilial) compliance across multiple jurisdictions:

Ingredient Decoder
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82 Allergen Checker
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Substance Compliance
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MoS Calculator
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Heavy Metal Limits
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