The atmospheric fate of cashmeran from musk-smelling volatile chemical products (VCPs) in chamber, indoor, and outdoor environments
Bibliographic record
Abstract
Synthetic musk compounds, like cashmeran, are a group of semi-volatile organic compounds commonly used as fragrances in perfumes. In addition to being potential indoor pollutants, they are also regarded as emerging outdoor pollutants, known at volatile chemical products (VCPs). Cashmeran is a bicyclic synthetic musk compound, and a major component of a commercial perfume for men. Here, we aim to better predict the atmospheric fate of cashmeran indoors and outdoors using a Vocus proton transfer time-of-flight mass spectrometer.Using the Vocus, we show that cashmeran was the dominant musk in a commercial perfume among other musk compounds like galaxolide, astratone, and rosamusk. Next, we measured the rate constant of cashmeran (C14H22O) with ozone for the first time under different experimental conditions to probe its ozonolysis mechanism. In the absence of O2, we calculated a rate constant of (2.78 ± 0.31) x 10-19 cm3mol-1s-1 at (293 ± 1) K and observed the formation of C14H22O2 as the key oxidation production. The ozonolysis reaction in the absence of O2 did not generate SOA. In the presence of O2, preliminary results show the rate constant to be 5.00 x 10-18 cm3mol-1s-1 at 293 K and the ozonolysis reaction formed SOA with a mass yield of 121 µg m-3. The rate constant observed in the presence of O2 indicate the importance of key carbon-radical chemistry and impact of partitioning sinks in understanding the fate of this molecule in the atmosphere. We hypothesize that the slow oxidation of cashmeran with ozone makes loss to partitioning to aerosols a competitive sink in determining its fate.Furthermore, we investigated how partitioning sinks might be competitive to gas-phase oxidation for the fate of cashmeran from a commercial perfume in an office environment. We show that partitioning to cotton is the major sink, suggesting this molecule can be easily transported outdoors by humans and their clothing.We further tested this hypothesis during THE CIX urban field campaign in Toronto, Canada in July-August 2023. We detected cashmeran outdoors throughout the campaign up to 10 ppt. As expected from a fragrant VCP, cashmeran peaked during the week only and in the morning. Based on our findings, we conclude that musk compounds, like cashmeran, are long-lived SVOCs capable of impacting urban air quality.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".