Tonalide | CAS# 21145-77-7 | biomarker

MedKoo Cat#: 591476 | Name: Tonalide

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Tonalide is a polycyclic musk used as a biomarker which has been seen to have adverse health effects on both human and aquatic life.

Chemical Structure

Tonalide

CAS# 21145-77-7

Theoretical Analysis

MedKoo Cat#: 591476

Name: Tonalide

CAS#: 21145-77-7

Chemical Formula: C18H26O

Exact Mass: 258.1984

Molecular Weight: 258.41

Elemental Analysis: C, 83.67; H, 10.14; O, 6.19

Price and Availability

Size	Price	Availability	Quantity
50mg	USD 260.00
100mg	USD 430.00
500mg	USD 1,040.00

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Related CAS #

No Data

Synonym

Tonalide; Tentarome; Tetralide

IUPAC/Chemical Name

Ethanone, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-

InChi Key

DNRJTBAOUJJKDY-UHFFFAOYSA-N

InChi Code

InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3

SMILES Code

CC(C1=C(C)C=C2C(C)(C)C(C)CC(C)(C)C2=C1)=O

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 258.41 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Su C, Liu X, Zhang K, Jiang B, Hu J, Li M, Cheng L, Luo H, Xie W, Liu C, Fan L, Chen W, Zhang X. A molecularly imprinted electrochemical sensor based on in- situ polymerization for rapid and selective detection of tonalide in aqueous environment. Anal Biochem. 2025 Mar;698:115730. doi: 10.1016/j.ab.2024.115730. Epub 2024 Nov 30. PMID: 39617160. 2: Wu L, Zhang XP, Peng B, Lian E, Zhao H, Aaron B, Guo X, Feng G, Liu X, Fan D, Meng XZ. Revealing the distribution of synthetic musks in Chinese estuarine sediments driven by natural and anthropogenic factors. Environ Pollut. 2024 Dec 15;363(Pt 2):125202. doi: 10.1016/j.envpol.2024.125202. Epub 2024 Oct 26. PMID: 39490510. 3: Lohmann R, Vrana B, Muir D, Smedes F, Sobotka J, Zeng EY, Bao LJ, Allan IJ, Astrahan P, Bidleman T, Crowley D, Dykyi E, Estoppey N, Fillmann G, Jantunen L, Kaserzon S, Maruya KA, McHugh B, Newman B, Prats RM, Tsapakis M, Tysklind M, van Drooge BL, Wong CS. AQUA-GAPS/MONET-Derived Concentrations and Trends of PAHs and Polycyclic Musks across Global Waters. Environ Sci Technol. 2024 Jul 20. doi: 10.1021/acs.est.4c03099. Epub ahead of print. PMID: 39031616. 4: Wu L, Wang R, Yao Y, Tong Y, Li H, Meng XZ, Gong X, Bao LJ, You J, Zeng EY. Occurrence, Spatial Distribution, and Bioaccumulation of Dissolved Synthetic Musks in Freshwaters across China. Environ Sci Technol. 2024 Apr 30;58(17):7617-7627. doi: 10.1021/acs.est.4c01051. Epub 2024 Apr 17. PMID: 38632682. 5: Chen C, He W, Ni Z, Zhang X, Cui Y, Song X, Feng J. Bioaccumulation, trophic transfer and risk assessment of polycyclic musk in marine food webs of the Bohai Sea. Mar Pollut Bull. 2024 May;202:116353. doi: 10.1016/j.marpolbul.2024.116353. Epub 2024 Apr 10. PMID: 38598929. 6: Li WL, Shunthirasingham C, Wong F, Smyth SA, Pajda A, Alexandrou N, Hung H, Huo CY, Bisbicos T, Alaee M, Pacepavicius G, Marvin C. Assessing Contributions of Synthetic Musk Compounds from Wastewater Treatment Plants to Atmospheric and Aquatic Environments. Environ Sci Technol. 2024 Mar 26;58(12):5524-5533. doi: 10.1021/acs.est.4c00840. Epub 2024 Mar 11. PMID: 38466636; PMCID: PMC10976898. 7: Li J, Lu Y, Chen H, Zheng D, Yang Q, Campos LC. Synthetic musks in the natural environment: Sources, occurrence, concentration, and fate-A review of recent developments (2010-2023). Sci Total Environ. 2024 Apr 20;922:171344. doi: 10.1016/j.scitotenv.2024.171344. Epub 2024 Mar 1. PMID: 38432391. 8: Luo N, Gao Y, Wang M, Niu X, Li G, An T. Bidirectional role of synthetic musk tonalide as photosensitizer and activator on amino acids: Formation of sensitizer imine at aqueous chemistry interface of skin. Eco Environ Health. 2023 Mar 10;2(1):32-39. doi: 10.1016/j.eehl.2023.03.002. PMID: 38074450; PMCID: PMC10702883. 9: Cahova J, Blahova J, Plhalova L, Marsalek P, Doubkova V, Hostovsky M, Divisova L, Mares J, Faggio C, Svobodova Z. Long-term exposure to polycyclic musk tonalide - A potential threat to juvenile zebrafish (Danio rerio)? Vet Med (Praha). 2023 May 29;68(5):218-224. doi: 10.17221/40/2023-VETMED. PMID: 37982026; PMCID: PMC10581524. 10: Lencioni V, Rizzi C, Gobbi M, Mustoni A, Villa S. Glacier foreland insect uptake synthetic compounds: an emerging environmental concern. Environ Sci Pollut Res Int. 2023 Nov;30(53):113859-113873. doi: 10.1007/s11356-023-30387-x. Epub 2023 Oct 19. PMID: 37855959. 11: Wang T, Zou H, Li D, Gao J, Bu Q, Wang Z. Global distribution and ecological risk assessment of synthetic musks in the environment. Environ Pollut. 2023 Aug 15;331(Pt 2):121893. doi: 10.1016/j.envpol.2023.121893. Epub 2023 May 26. PMID: 37245793. 12: Reiter EB, Escher BI, Rojo-Nieto E, Nolte H, Siebert U, Jahnke A. Characterizing the marine mammal exposome by iceberg modeling, linking chemical analysis and in vitro bioassays. Environ Sci Process Impacts. 2023 Nov 15;25(11):1802-1816. doi: 10.1039/d3em00033h. PMID: 37132588; PMCID: PMC10647987. 13: Birch H, Teixeira A, van Egmond R, Mayer P. Closed aerobic biodegradation kinetics test with activated sludge and low concentration chemical mixtures. Chemosphere. 2023 Jul;330:138752. doi: 10.1016/j.chemosphere.2023.138752. Epub 2023 Apr 20. PMID: 37086980. 14: Chane AD, Košnář Z, Hřebečková T, Wiesnerová L, Jozífek M, Doležal P, Praus L, Tlustoš P. Bioremediation of the synthetic musk compounds Galaxolide and Tonalide by white rot fungal strain-assisted phytoremediation in biosolid- amended soil. Chemosphere. 2023 Jul;328:138605. doi: 10.1016/j.chemosphere.2023.138605. Epub 2023 Apr 5. PMID: 37028715. 15: Vidal-Liñán L, Moscoso-Pérez C, Laranjeiro F, Muniategui-Lorenzo S, Beiras R. Filtration of biopolymer PHB particles loaded with synthetic musks does not cause significant bioaccumulation in marine mussels. Environ Toxicol Pharmacol. 2023 Apr;99:104092. doi: 10.1016/j.etap.2023.104092. Epub 2023 Mar 1. PMID: 36868485. 16: Quintanilla I, Perelló C, Merlo F, Profumo A, Fontàs C, Anticó E. Multiwalled Carbon Nanotubes Embedded in a Polymeric Matrix as a New Material for Thin Film Microextraction (TFME) in Organic Pollutant Monitoring. Polymers (Basel). 2023 Jan 7;15(2):314. doi: 10.3390/polym15020314. PMID: 36679194; PMCID: PMC9863860. 17: Shi M, He J, Xu M, Lin X, Liu H, Jiang T, Yi Z. Interactions between polycyclic musks and human lactoferrin: Multi-spectroscopic methods and docking simulation. J Mol Recognit. 2023 Apr;36(4):e3005. doi: 10.1002/jmr.3005. Epub 2023 Jan 31. PMID: 36573888. 18: García-Valverde M, Aragonés AM, Andújar JAS, García MDG, Martínez-Bueno MJ, Fernández-Alba AR. Long-term effects on the agroecosystem of using reclaimed water on commercial crops. Sci Total Environ. 2023 Feb 10;859(Pt 2):160462. doi: 10.1016/j.scitotenv.2022.160462. Epub 2022 Nov 24. PMID: 36435246. 19: Luo N, Gao Y, Wang M, Niu X, Li G, An T. A new bi-radical species formed during the photochemical degradation of synthetic musk tonalide in water: Study of in-situ laser flash photolysis and validation of synthesized standard sample. Sci Total Environ. 2023 Feb 10;859(Pt 1):160311. doi: 10.1016/j.scitotenv.2022.160311. Epub 2022 Nov 18. PMID: 36403842. 20: Vimalkumar K, Mayilsamy M, Arun E, Gobinath B, Prasanth S, Nikhil PN, Krishna-Kumar S, Srimurali S, Mkandawire M, Babu-Rajendran R. Screening of antimicrobials, fragrances, UV stabilizers, plasticizers and preservatives in sewage treatment plants (STPs) and their risk assessment in India. Chemosphere. 2022 Dec;308(Pt 3):136452. doi: 10.1016/j.chemosphere.2022.136452. Epub 2022 Sep 15. PMID: 36116630.