Moderate Cosmetic Ingredient NOAEL Data

Allyl Caproate

Also known as: Hexanoic acid, 2-propen-1-yl ester, 4-02-00-00924, BRN 1761920, EINECS 204-642-4, FEMA No. 2032 (+4 more)

INCI: ALLYL CAPROATE (SYN. ALLYL HEXANOATE)

Allyl Caproate (CAS 123-68-2) is a cosmetic cosmetic ingredient functioning as Fragrance, Astringent, Skin Conditioning - Emollient. NOAEL 4 mg/kg bw/day (cross-referenced against ToxValDB ECHA IUCLID); EU Regulation 1223/2009 status: restricted. 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 123-68-2 →

Auto-generated CPSR Part A draft with source citations
Function
Fragrance, Astringent, Skin Conditioning - Emollient
Safety Rating
MODERATE

Chemistry & Identifiers

Formula
C9H16O2
MW
156.22 g/mol
EC Number
204-642-4
PubChem CID
31266
IUPAC Name
prop-2-enyl hexanoate
InChIKey
RCSBILYQLVXLJG-UHFFFAOYSA-N

Regulatory Status

EU EU Status restricted
US US Status permitted
US Notes Permitted in cosmetics; FEMA GRAS (No. 2032) for flavoring

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

Safety Data

Margin of Safety, dermal absorption, and sensitization profile summaries for Allyl Caproate.

Calculate MoS for your specific formulation with the MoS Calculator.

Toxicological Studies

4 study endpoints found for Allyl Caproate. 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 65 mg/kg bw/day oral rat Subchronic COSMOS_DB
NOAEL 100 mg/kg bw/day oral rat Subchronic COSMOS_DB
NOAEL 125 mg/kg bw/day oral rat Chronic COSMOS_DB
NOAEL 250 mg/kg bw/day oral rat Carcinogenicity COSMOS_DB

Pre-Calculated Safety Assessment

Pre-calculated NOAEL → SED → MoS audit trail for Allyl Caproate across SCCS product categories, with measured dermal absorption where available.

HRIPT Human Patch Test Studies

1 human repeat insult patch test aggregated from dermatological literature.

Test Type N Sensitized Dose µg/cm² NESIL µg/cm² Potency
HMT - 0 2592 - -

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

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
India: Restricted

PubChem Annotations

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

Regulatory (2)
JECFA Number
3
Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
JECFA Evaluation
ALLYL CAPROATE | 1996 | 0-0.13 mg/kg bw (1990) | No safety concern at current levels of intake when used as a flavouring agent. The 1990 ADI, equivalent to 0-0.05 mg/kg allyl alcohol, for allyl heptanoate, allyl hexanoate and allyl isovalerate, was maintained at the forty-sixth meeting (1996). | TRS 868-JECFA 46/28
Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)

Function Categories & List Membership

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

Expert Verdict

Expert safety assessment and concern-level summary for Allyl Caproate.

Regulatory Flags

fragrance-component ifra_fragrance fda_food_additive eu_cosing_listed

NOAEL Studies Summary

View details ->

Public NOAEL study rows linked to Allyl Caproate by CAS number or substance name.

Studies
4
Lowest NOAEL
65 mg/kg bw/day
Highest NOAEL
250 mg/kg bw/day
COSMOS_DB

Known Synonyms

Hexanoic acid, 2-propen-1-yl ester 4-02-00-00924 BRN 1761920 EINECS 204-642-4 FEMA No. 2032 NSC 20962 2-Propenyl n-hexanoate Allylester kyseliny kapronove UNII-3VH84A363D

Chemical Function

Fragrance Softener and conditioner Astringent Deodorizer Flavouring and nutrient

Regulatory Lists

Europe; Personal care; restricted IFRA Transparency Europe food_additive; Substances Added to Food (formerly EAFUS) (2/2019) consumer_product air; detected; emissions; Europe; Toys and children's products air; detected; emissions; Europe; Toys and children's products

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.

Compound
ALLYL HEXANOATE
ChEMBL ID
CHEMBL2229585
View full pharmaceutical profile →

Frequently Asked Questions

Is Allyl Caproate safe in cosmetics?

Allyl Caproate has a safety rating of "MODERATE" in our database. EU status: restricted. US status: permitted. 4 toxicological study endpoint(s) are available in our database.

Is Allyl Caproate allowed in the EU?

Allyl Caproate EU regulatory status: restricted. This is based on EU Regulation 1223/2009 and its amendments.

What does Allyl Caproate do in cosmetics?

Allyl Caproate functions as: Fragrance, Astringent, Skin Conditioning - Emollient. It is classified as a cosmetic ingredient in our database. CAS number: 123-68-2.

What is the NOAEL for Allyl Caproate?

The NOAEL (No Observed Adverse Effect Level) for Allyl Caproate is 65 mg/kg bw/day based on a Subchronic study via oral route in rat. A total of 4 study endpoints are available. Source: COSMOS_DB.

Is Allyl Caproate used outside cosmetics?

Allyl Caproate 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 Allyl Caproate have different safety status in cosmetics vs industrial chemicals?

Allyl Caproate is classified GHS Danger (H301, H311, H315, H319, H331, H400, H410, H411) in the chemicals database but is restricted in EU cosmetics.

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