CONSTITUENT REPORT
Isobutyl angelate
Isobutyl angelate is one of the signature esters of Roman chamomile oil and one of the better documented angelate esters in public fragrance-safety literature. Live sources strongly support its identity, food-flavor status, dominant occurrence in Roman chamomile, and a recent RIFM safety assessment. A smaller isolated-compound literature also links Roman chamomile's ambulation-promoting mouse model effects partly to isobutyl angelate, but that evidence remains preclinical and should not be translated into consumer medical or mood-treatment claims.
Chemical identity and composition
PubChem identifies isobutyl angelate as C9H16O2 with IUPAC name 2-methylpropyl (Z)-2-methylbut-2-enoate and InChIKey XDEGQMQKHFPBEW-YVMONPNESA-N. RIFM explicitly assesses CAS 7779-81-9 together with the geometric-isomer CAS 61692-84-0 because the materials are isomers. EMA's Roman chamomile report lists isobutyl angelate as the most abundant named volatile ester in the oil.
Aroma and practical use
- Use the recorded winey, fruity, fresh-herbaceous, green, chamomile-like descriptors to explore a blend's scent character; perceived strength also depends on the other ingredients.
- Compare the recorded goal signals with the intended purpose, while keeping model assumptions separate from observed study outcomes.
- Review the flagged use concerns across every contributing oil and the selected dilution.
- Read the route, preparation and experimental context before using a study finding to choose an oil.
Reported benefits and effects
Findings retain their study context. An animal or laboratory result describes that experiment.
EMA lists isobutyl angelate as a main Roman chamomile oil constituent at 25.85-36.0%.
This is the clearest archive-relevant occurrence source and supports its role as a dominant ester marker for Roman chamomile.
This reference does not establish a therapeutic result or a safe use level for a custom oil blend.
RIFM concluded that isobutyl angelate is not genotoxic, is below TTC thresholds for repeated-dose, reproductive, and respiratory endpoints, does not present a skin-sensitization concern at current declared use levels, and is not expected to be photoirritating or photoallergenic.
The assessment also reports that the material was not considered PBT under IFRA environmental standards.
The source assessment applies to its specified exposure and preparation; this entry is not an unrestricted-use clearance.
A 2017 Flavour and Fragrance Journal study identified isobutyl angelate among the Roman chamomile constituents that significantly promoted mouse ambulation.
The same study framed the effect as part of a mixture-level neuronal mechanism investigation, so it should be treated as early preclinical behavioral evidence only.
This experimental finding does not establish benefit, dose or safety in people using this blend.
How it contributes to goal calculations
Model markers guide the formulation score. They are separate from the source findings above.
Use concerns and concentration limits
Sensitization concernFlagged
Flagged in the constituent reference; assess the source, route and finished-product concentration.
Phototoxicity concernNot flagged
Not flagged in the current model. This is not proof of absence or unrestricted safety.
Oxidation concernNot flagged
Not flagged in the current model. This is not proof of absence or unrestricted safety.
Penetration enhancementNot flagged
Not flagged in the current model. This is not proof of absence or unrestricted safety.
A recorded constituent reference, not a recommended oil dilution. Product category, source applicability and all contributing oils must be checked before use.
unverified reference · No source provenance attachedRIFM's 2024 safety assessment concluded that isobutyl angelate is safe as described in that fragrance-use assessment and not genotoxic.
The source assessment applies to its specified exposure and preparation; this entry is not an unrestricted-use clearance.
No direct public citation is attached to this entry.
The same assessment found no skin-sensitization concern at declared use levels and no expected photoirritation or photoallergenicity based on UV/Vis screening.
The source assessment applies to its specified exposure and preparation; this entry is not an unrestricted-use clearance.
No direct public citation is attached to this entry.
The preclinical ambulation paper does not justify consumer-facing stimulant, focus, mood, or neurologic claims for isolated isobutyl angelate.
This reference does not establish a therapeutic result or a safe use level for a custom oil blend.
No direct public citation is attached to this entry.
Constituents it may interact with
These are research candidates recorded in the interaction matrix. They do not add a proven-amplification bonus to the score.
Isoamyl angelateAmplification candidate
Candidate in the research matrix. A coefficient alone does not establish amplification at the dose, route or goal of your blend; no proven amplification is inferred from this row.
animal · effect
No source citation attached.
Read Isoamyl angelate report →How the effects were investigated
expected_ester_hydrolysis
As an aliphatic ester, isobutyl angelate is expected to undergo esterase-mediated cleavage, a general metabolism expectation also reflected in RIFM's safety-evaluation framework.
This reference does not establish a therapeutic result or a safe use level for a custom oil blend.
dopamine_related_ambulation_hypothesis_from_mixture_study
The Roman chamomile ambulation paper interpreted attenuation by chlorpromazine and haloperidol as consistent with dopamine involvement in the mouse behavioral effect of constituent mixtures containing isobutyl angelate.
This experimental finding does not establish benefit, dose or safety in people using this blend.
What this report cannot establish
- A reported constituent percentage does not establish an effective human therapeutic dose or the amount absorbed into the body.
- The presence of a constituent does not guarantee a clinical benefit, rash treatment or sleep improvement from a custom blend.
- An unflagged concern or missing use limit does not establish safety for ingestion, inhalation, skin exposure or a particular person.
- A candidate constituent interaction does not establish that two oils amplify one another at the selected proportions.
- Constituent descriptors alone do not establish a precise top, heart or base lifetime in a finished blend.
Known data gaps (6)
- No human clinical literature was verified for isolated isobutyl angelate in this pass.
- The behavioral paper is animal-only and mixture-contextual, so it cannot support consumer mood or neurologic claims.
- Most strong public evidence is safety and occurrence oriented rather than therapeutic.
- The numeric dermal reference lacks source provenance; a verified flag alone is insufficient.
- Some findings do not record an explicit exposure route; consult the linked study before applying them to a use.
- Interaction candidates lack an attached source citation and remain unqualified.