Allyl Isovalerate

Also known as: Allyl 3-methylbutanoate (Prop-2-en-1-yl 3-methylbutanoate) (Allyl isovalerate), Butanoic acid, 3-methyl-, 2-propen-1-yl ester, Butanoic acid, 3-methyl-, 2-propenyl ester, Allyl isopentanoate, Allyl isovalerianate (+14 more)

INCI: ALLYL ISOVALERATE

Allyl Isovalerate (CAS 2835-39-4) is a cosmetic cosmetic ingredient functioning as Fragrance ingredient. NOAEL 31 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 and pharmaceutical data.

View industrial chemical safety profile for CAS 2835-39-4 →

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

Chemistry & Identifiers

Formula
C8H14O2
MW
142.2 g/mol
PubChem CID
17816
IUPAC Name
prop-2-enyl 3-methylbutanoate
InChIKey
HOMAGVUCNZNWBC-UHFFFAOYSA-N

Regulatory Status

EU EU Status permitted
US US Status permitted
US Notes Not specifically restricted by FDA; GRAS for food use; IFRA standards apply voluntarily in cosmetics

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 Isovalerate.

Calculate MoS for your specific formulation with the MoS Calculator.

Pre-Calculated Safety Assessment

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

IARC Carcinogenicity

International Agency for Research on Cancer (WHO) monograph evaluation.

IARC Group
3
Volume
36, Sup 7, 71
Evaluation Year
1998

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 - 0 675 - -

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.

Safety (4)
Carcinogen Classification
3, not classifiable as to its carcinogenicity to humans. (L135)
Source: Toxin and Toxin Target Database (T3DB)
Carcinogen Classification
Allyl isovalerate | Group 3: Not classifiable as to its carcinogenicity to humans | Volume 36: (1985) Allyl Compounds, Aldehydes, Epoxides and Peroxides | Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print) | Volume 71: (1999) Re-evaluation of Some Organic Chemicals, Hydrazine and Hydrogen Peroxide
Source: International Agency for Research on Cancer (IARC)
Carcinogen Classification
Allyl isovalerate | TR-253: Carcinogenesis Studies of Allyl Isovalerate (CASRN 2835-39-4) in F344/N Rats and B6C3F1 Mice (Gavage Studies) (1983 ) | 09/22/82 | Clear Evidence | No Evidence | No Evidence | Clear Evidence | Under the conditions of these studies, allyl isovalerate was carcinogenic for F344/N rats and B6C3F1 mice, causing increased incidences of hematopoietic system neoplasms
Source: NTP Technical Reports
Evidence for Carcinogenicity
Evaluation: No epidemiological data relevant to the carcinogenicity of allyl isovalerate were available. There is limited evidence in experimental animals for the carcinogenicity of allyl isovalerate. Overall evaluation: Allyl isovalerate is not classifiable as to its carcinogenicity to humans (Group 3).
Source: Hazardous Substances Data Bank (HSDB)
Regulatory (2)
JECFA Number
7
Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
JECFA Evaluation
ALLYL 3-METHYLBUTANOATE | 1996 | 0-0.12 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
Flavouring and nutrient Fragrance
Regulatory List Membership (2)
FDA Substances Added to Food (EAFUS) EU CosIng Cosmetics Ingredient Database

Expert Verdict

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

Regulatory Flags

fragrance-component fda_food_additive eu_cosing_listed

Known Synonyms

Allyl 3-methylbutanoate (Prop-2-en-1-yl 3-methylbutanoate) (Allyl isovalerate) Butanoic acid, 3-methyl-, 2-propen-1-yl ester Butanoic acid, 3-methyl-, 2-propenyl ester Allyl isopentanoate Allyl isovalerianate Allyl 3-methylbutanoate Allyl 3-methylbutyrate BRN 1750520 Butyric acid, 3-methyl-, allyl ester EINECS 220-609-7 FEMA No. 2045 3-Methylbutanoic acid, 2-propenyl ester 3-Methylbutyric acid, allyl ester NCI-C54717 NSC 18606 2-Propenyl isopentanoate 2-Propenyl isovalerate 2-Propenyl 3-methylbutanoate UNII-3551Z86V7T

Chemical Function

Fragrance Flavouring and nutrient

Regulatory Lists

Europe food_additive; Substances Added to Food (formerly EAFUS) (2/2019) Europe; Personal care; restricted

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
CHEMBL1887355
View full pharmaceutical profile →

Frequently Asked Questions

Is Allyl Isovalerate safe in cosmetics?

Allyl Isovalerate has a safety rating of "MODERATE" in our database. EU status: permitted. US status: permitted.

Is Allyl Isovalerate allowed in the EU?

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

What does Allyl Isovalerate do in cosmetics?

Allyl Isovalerate functions as: Fragrance ingredient. It is classified as a cosmetic ingredient in our database. CAS number: 2835-39-4.

Is Allyl Isovalerate used outside cosmetics?

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

Allyl Isovalerate is classified GHS Danger (H301, H311, H226) in the chemicals database but is allowed in EU cosmetics.

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