Atmospheric Lifetimes and Fates of Selected Fragrance Materials and Volatile Model Compounds
Fragrance materials are semivolatile organic compounds widely used in consumer products. Despite their generally low volatility, it is expected that a fraction of these compounds will volatilize into the atmosphere, where they can photolyze, react with OH radicals, NO3 radicals and O3, and/or underg...
Gespeichert in:
| Veröffentlicht in: | Environmental science & technology 2001-09, Vol.35 (18), p.3595-3600 |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 3600 |
|---|---|
| container_issue | 18 |
| container_start_page | 3595 |
| container_title | Environmental science & technology |
| container_volume | 35 |
| creator | Aschmann, Sara M Arey, Janet Atkinson, Roger Simonich, Staci L |
| description | Fragrance materials are semivolatile organic compounds widely used in consumer products. Despite their generally low volatility, it is expected that a fraction of these compounds will volatilize into the atmosphere, where they can photolyze, react with OH radicals, NO3 radicals and O3, and/or undergo wet and dry deposition. Using relative rate methods, rate constants have been measured at 296 ± 2 K for the gas-phase reactions of OH radicals, NO3 radicals, and O3 with the fragrance materials 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone (OTNE), acetyl cedrene [(3R-(3a,3ab,7b,8aa))-1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one], and HHCB (1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethycyclopenta-[γ]-2-benzopyran) as well as with isochroman which is structurally related to HHCB. Measured rate constants (in cm3 molecule-1 s-1 units) are OH radical reactions [OTNE, (9.85 ± 0.88) × 10-11; acetyl cedrene, (7.7 ± 1.6) × 10-11; HHCB, (2.6 ± 0.6) × 10-11; and isochroman, (3.7 ± 0.6) × 10-11], NO3 radical reactions [OTNE, (1.71 ± 0.19) × 10-11 and acetyl cedrene, (4.1 ± 1.0) × 10-15], and O3 reactions [OTNE, (2.1 ± 0.5) × 10-18 and acetyl cedrene, |
| doi_str_mv | 10.1021/es010685i |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_18361531</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>82188036</sourcerecordid><originalsourceid>FETCH-LOGICAL-a467t-5c0d28077e201d9cbc36d2fbbebf5c5a74e03303349fa5061f47ea3ca774d4823</originalsourceid><addsrcrecordid>eNqF0V9rFDEQAPAgir1WH_wCsogKfVidbP7tPZbD1tIrFlpFihCy2Ymm7m7OZBfstzfHHm3RByGQMPNjyMwQ8oLCOwoVfY8JKMha-EdkQUUFpagFfUwWAJSVSya_7pH9lG4AoGJQPyV7lKqaScYW5NvR2Ie0-YHR22LtHY6-x1SYoS2OzZhfwRWX2KEdMUei-R7NYLE4z7noTTfLL6Ezo-9yOLTYFavQb8I0tOkZeeKywee7-4B8Pv5wtfpYrj-dnK6O1qXhUo2lsNBWNSiFFdB2aRvLZFu5psHGCSuM4giM5cOXzgiQ1HGFhlmjFG95XbED8nauu4nh14Rp1L1PFrvODBimpGlulgpG_w-5BCGBZ_jqL3gTpjjkJnQeIc2Hb9HhjGwMKUV0ehN9b-KtpqC3i9F3i8n25a7g1PTY3svdJjJ4vQMmWdO57Zx9euAor0SdWTkzn0b8fZc28aeWiimhry4u9Yk6W59f1xf6Ovs3szc23ffw7__-AFpqry8</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>230130144</pqid></control><display><type>article</type><title>Atmospheric Lifetimes and Fates of Selected Fragrance Materials and Volatile Model Compounds</title><source>MEDLINE</source><source>American Chemical Society Journals</source><creator>Aschmann, Sara M ; Arey, Janet ; Atkinson, Roger ; Simonich, Staci L</creator><creatorcontrib>Aschmann, Sara M ; Arey, Janet ; Atkinson, Roger ; Simonich, Staci L</creatorcontrib><description>Fragrance materials are semivolatile organic compounds widely used in consumer products. Despite their generally low volatility, it is expected that a fraction of these compounds will volatilize into the atmosphere, where they can photolyze, react with OH radicals, NO3 radicals and O3, and/or undergo wet and dry deposition. Using relative rate methods, rate constants have been measured at 296 ± 2 K for the gas-phase reactions of OH radicals, NO3 radicals, and O3 with the fragrance materials 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone (OTNE), acetyl cedrene [(3R-(3a,3ab,7b,8aa))-1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one], and HHCB (1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethycyclopenta-[γ]-2-benzopyran) as well as with isochroman which is structurally related to HHCB. Measured rate constants (in cm3 molecule-1 s-1 units) are OH radical reactions [OTNE, (9.85 ± 0.88) × 10-11; acetyl cedrene, (7.7 ± 1.6) × 10-11; HHCB, (2.6 ± 0.6) × 10-11; and isochroman, (3.7 ± 0.6) × 10-11], NO3 radical reactions [OTNE, (1.71 ± 0.19) × 10-11 and acetyl cedrene, (4.1 ± 1.0) × 10-15], and O3 reactions [OTNE, (2.1 ± 0.5) × 10-18 and acetyl cedrene, <2.2 × 10-18] where the error limits are two least-squares standard deviations. Rate constants for the OH radical reactions predicted by a structure−reactivity estimation method agree well with the measured values. The dominant tropospheric loss processes for the compounds studied are calculated to be in a reaction with OH radicals during daytime and, for OTNE and acetyl cedrene, with NO3 radicals during nighttime. The calculated atmospheric lifetimes due to daytime reaction with the OH radical are a few hours or less for the fragrance materials studied and indicate that these specific compounds will not undergo long-range transport in the atmosphere.</description><identifier>ISSN: 0013-936X</identifier><identifier>EISSN: 1520-5851</identifier><identifier>DOI: 10.1021/es010685i</identifier><identifier>PMID: 11783633</identifier><identifier>CODEN: ESTHAG</identifier><language>eng</language><publisher>Washington, DC: American Chemical Society</publisher><subject>Air Pollutants - analysis ; Applied sciences ; Atmosphere ; Atmospheric pollution ; Consumer goods ; Environmental Monitoring ; Exact sciences and technology ; fragrances ; Household Products ; Hydroxyl Radical - chemistry ; Models, Theoretical ; Odorants ; Organic Chemicals ; Perfumes ; Photochemistry ; Pollutants physicochemistry study: properties, effects, reactions, transport and distribution ; Pollution ; VOCs ; Volatile organic compounds ; Volatilization</subject><ispartof>Environmental science & technology, 2001-09, Vol.35 (18), p.3595-3600</ispartof><rights>Copyright © 2001 American Chemical Society</rights><rights>2001 INIST-CNRS</rights><rights>Copyright American Chemical Society Sep 15, 2001</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-a467t-5c0d28077e201d9cbc36d2fbbebf5c5a74e03303349fa5061f47ea3ca774d4823</citedby><cites>FETCH-LOGICAL-a467t-5c0d28077e201d9cbc36d2fbbebf5c5a74e03303349fa5061f47ea3ca774d4823</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/es010685i$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/es010685i$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>314,778,782,2754,27063,27911,27912,56725,56775</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=1114258$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/11783633$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Aschmann, Sara M</creatorcontrib><creatorcontrib>Arey, Janet</creatorcontrib><creatorcontrib>Atkinson, Roger</creatorcontrib><creatorcontrib>Simonich, Staci L</creatorcontrib><title>Atmospheric Lifetimes and Fates of Selected Fragrance Materials and Volatile Model Compounds</title><title>Environmental science & technology</title><addtitle>Environ. Sci. Technol</addtitle><description>Fragrance materials are semivolatile organic compounds widely used in consumer products. Despite their generally low volatility, it is expected that a fraction of these compounds will volatilize into the atmosphere, where they can photolyze, react with OH radicals, NO3 radicals and O3, and/or undergo wet and dry deposition. Using relative rate methods, rate constants have been measured at 296 ± 2 K for the gas-phase reactions of OH radicals, NO3 radicals, and O3 with the fragrance materials 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone (OTNE), acetyl cedrene [(3R-(3a,3ab,7b,8aa))-1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one], and HHCB (1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethycyclopenta-[γ]-2-benzopyran) as well as with isochroman which is structurally related to HHCB. Measured rate constants (in cm3 molecule-1 s-1 units) are OH radical reactions [OTNE, (9.85 ± 0.88) × 10-11; acetyl cedrene, (7.7 ± 1.6) × 10-11; HHCB, (2.6 ± 0.6) × 10-11; and isochroman, (3.7 ± 0.6) × 10-11], NO3 radical reactions [OTNE, (1.71 ± 0.19) × 10-11 and acetyl cedrene, (4.1 ± 1.0) × 10-15], and O3 reactions [OTNE, (2.1 ± 0.5) × 10-18 and acetyl cedrene, <2.2 × 10-18] where the error limits are two least-squares standard deviations. Rate constants for the OH radical reactions predicted by a structure−reactivity estimation method agree well with the measured values. The dominant tropospheric loss processes for the compounds studied are calculated to be in a reaction with OH radicals during daytime and, for OTNE and acetyl cedrene, with NO3 radicals during nighttime. The calculated atmospheric lifetimes due to daytime reaction with the OH radical are a few hours or less for the fragrance materials studied and indicate that these specific compounds will not undergo long-range transport in the atmosphere.</description><subject>Air Pollutants - analysis</subject><subject>Applied sciences</subject><subject>Atmosphere</subject><subject>Atmospheric pollution</subject><subject>Consumer goods</subject><subject>Environmental Monitoring</subject><subject>Exact sciences and technology</subject><subject>fragrances</subject><subject>Household Products</subject><subject>Hydroxyl Radical - chemistry</subject><subject>Models, Theoretical</subject><subject>Odorants</subject><subject>Organic Chemicals</subject><subject>Perfumes</subject><subject>Photochemistry</subject><subject>Pollutants physicochemistry study: properties, effects, reactions, transport and distribution</subject><subject>Pollution</subject><subject>VOCs</subject><subject>Volatile organic compounds</subject><subject>Volatilization</subject><issn>0013-936X</issn><issn>1520-5851</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2001</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqF0V9rFDEQAPAgir1WH_wCsogKfVidbP7tPZbD1tIrFlpFihCy2Ymm7m7OZBfstzfHHm3RByGQMPNjyMwQ8oLCOwoVfY8JKMha-EdkQUUFpagFfUwWAJSVSya_7pH9lG4AoGJQPyV7lKqaScYW5NvR2Ie0-YHR22LtHY6-x1SYoS2OzZhfwRWX2KEdMUei-R7NYLE4z7noTTfLL6Ezo-9yOLTYFavQb8I0tOkZeeKywee7-4B8Pv5wtfpYrj-dnK6O1qXhUo2lsNBWNSiFFdB2aRvLZFu5psHGCSuM4giM5cOXzgiQ1HGFhlmjFG95XbED8nauu4nh14Rp1L1PFrvODBimpGlulgpG_w-5BCGBZ_jqL3gTpjjkJnQeIc2Hb9HhjGwMKUV0ehN9b-KtpqC3i9F3i8n25a7g1PTY3svdJjJ4vQMmWdO57Zx9euAor0SdWTkzn0b8fZc28aeWiimhry4u9Yk6W59f1xf6Ovs3szc23ffw7__-AFpqry8</recordid><startdate>20010915</startdate><enddate>20010915</enddate><creator>Aschmann, Sara M</creator><creator>Arey, Janet</creator><creator>Atkinson, Roger</creator><creator>Simonich, Staci L</creator><general>American Chemical Society</general><scope>BSCLL</scope><scope>IQODW</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QO</scope><scope>7ST</scope><scope>7T7</scope><scope>7U7</scope><scope>8FD</scope><scope>C1K</scope><scope>FR3</scope><scope>P64</scope><scope>SOI</scope><scope>7QR</scope><scope>7TV</scope></search><sort><creationdate>20010915</creationdate><title>Atmospheric Lifetimes and Fates of Selected Fragrance Materials and Volatile Model Compounds</title><author>Aschmann, Sara M ; Arey, Janet ; Atkinson, Roger ; Simonich, Staci L</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a467t-5c0d28077e201d9cbc36d2fbbebf5c5a74e03303349fa5061f47ea3ca774d4823</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2001</creationdate><topic>Air Pollutants - analysis</topic><topic>Applied sciences</topic><topic>Atmosphere</topic><topic>Atmospheric pollution</topic><topic>Consumer goods</topic><topic>Environmental Monitoring</topic><topic>Exact sciences and technology</topic><topic>fragrances</topic><topic>Household Products</topic><topic>Hydroxyl Radical - chemistry</topic><topic>Models, Theoretical</topic><topic>Odorants</topic><topic>Organic Chemicals</topic><topic>Perfumes</topic><topic>Photochemistry</topic><topic>Pollutants physicochemistry study: properties, effects, reactions, transport and distribution</topic><topic>Pollution</topic><topic>VOCs</topic><topic>Volatile organic compounds</topic><topic>Volatilization</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Aschmann, Sara M</creatorcontrib><creatorcontrib>Arey, Janet</creatorcontrib><creatorcontrib>Atkinson, Roger</creatorcontrib><creatorcontrib>Simonich, Staci L</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Biotechnology Research Abstracts</collection><collection>Environment Abstracts</collection><collection>Industrial and Applied Microbiology Abstracts (Microbiology A)</collection><collection>Toxicology Abstracts</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>Engineering Research Database</collection><collection>Biotechnology and BioEngineering Abstracts</collection><collection>Environment Abstracts</collection><collection>Chemoreception Abstracts</collection><collection>Pollution Abstracts</collection><jtitle>Environmental science & technology</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Aschmann, Sara M</au><au>Arey, Janet</au><au>Atkinson, Roger</au><au>Simonich, Staci L</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Atmospheric Lifetimes and Fates of Selected Fragrance Materials and Volatile Model Compounds</atitle><jtitle>Environmental science & technology</jtitle><addtitle>Environ. Sci. Technol</addtitle><date>2001-09-15</date><risdate>2001</risdate><volume>35</volume><issue>18</issue><spage>3595</spage><epage>3600</epage><pages>3595-3600</pages><issn>0013-936X</issn><eissn>1520-5851</eissn><coden>ESTHAG</coden><abstract>Fragrance materials are semivolatile organic compounds widely used in consumer products. Despite their generally low volatility, it is expected that a fraction of these compounds will volatilize into the atmosphere, where they can photolyze, react with OH radicals, NO3 radicals and O3, and/or undergo wet and dry deposition. Using relative rate methods, rate constants have been measured at 296 ± 2 K for the gas-phase reactions of OH radicals, NO3 radicals, and O3 with the fragrance materials 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone (OTNE), acetyl cedrene [(3R-(3a,3ab,7b,8aa))-1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one], and HHCB (1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethycyclopenta-[γ]-2-benzopyran) as well as with isochroman which is structurally related to HHCB. Measured rate constants (in cm3 molecule-1 s-1 units) are OH radical reactions [OTNE, (9.85 ± 0.88) × 10-11; acetyl cedrene, (7.7 ± 1.6) × 10-11; HHCB, (2.6 ± 0.6) × 10-11; and isochroman, (3.7 ± 0.6) × 10-11], NO3 radical reactions [OTNE, (1.71 ± 0.19) × 10-11 and acetyl cedrene, (4.1 ± 1.0) × 10-15], and O3 reactions [OTNE, (2.1 ± 0.5) × 10-18 and acetyl cedrene, <2.2 × 10-18] where the error limits are two least-squares standard deviations. Rate constants for the OH radical reactions predicted by a structure−reactivity estimation method agree well with the measured values. The dominant tropospheric loss processes for the compounds studied are calculated to be in a reaction with OH radicals during daytime and, for OTNE and acetyl cedrene, with NO3 radicals during nighttime. The calculated atmospheric lifetimes due to daytime reaction with the OH radical are a few hours or less for the fragrance materials studied and indicate that these specific compounds will not undergo long-range transport in the atmosphere.</abstract><cop>Washington, DC</cop><pub>American Chemical Society</pub><pmid>11783633</pmid><doi>10.1021/es010685i</doi><tpages>6</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0013-936X |
| ispartof | Environmental science & technology, 2001-09, Vol.35 (18), p.3595-3600 |
| issn | 0013-936X 1520-5851 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_18361531 |
| source | MEDLINE; American Chemical Society Journals |
| subjects | Air Pollutants - analysis Applied sciences Atmosphere Atmospheric pollution Consumer goods Environmental Monitoring Exact sciences and technology fragrances Household Products Hydroxyl Radical - chemistry Models, Theoretical Odorants Organic Chemicals Perfumes Photochemistry Pollutants physicochemistry study: properties, effects, reactions, transport and distribution Pollution VOCs Volatile organic compounds Volatilization |
| title | Atmospheric Lifetimes and Fates of Selected Fragrance Materials and Volatile Model Compounds |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-16T03%3A48%3A10IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Atmospheric%20Lifetimes%20and%20Fates%20of%20Selected%20Fragrance%20Materials%20and%20Volatile%20Model%20Compounds&rft.jtitle=Environmental%20science%20&%20technology&rft.au=Aschmann,%20Sara%20M&rft.date=2001-09-15&rft.volume=35&rft.issue=18&rft.spage=3595&rft.epage=3600&rft.pages=3595-3600&rft.issn=0013-936X&rft.eissn=1520-5851&rft.coden=ESTHAG&rft_id=info:doi/10.1021/es010685i&rft_dat=%3Cproquest_cross%3E82188036%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=230130144&rft_id=info:pmid/11783633&rfr_iscdi=true |