MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 462885 | Name: Musk ambrette

Description:

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

Musk ambrette is a nitro musk, a cheap substitute for natural musk and a potential environmental pollutant based on its persistence, accumulation in human organisms.

Chemical Structure

Musk ambrette
Musk ambrette
CAS#83-66-9

Theoretical Analysis

MedKoo Cat#: 462885

Name: Musk ambrette

CAS#: 83-66-9

Chemical Formula: C12H16N2O5

Exact Mass: 268.1059

Molecular Weight: 268.27

Elemental Analysis: C, 53.73; H, 6.01; N, 10.44; O, 29.82

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
Amber musk; Ambrette musk; Artificial musk ambrette; Synthetic musk ambrette; NSC 46122; NSC46122; NSC-46122;
IUPAC/Chemical Name
1-(tert-butyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
InChi Key
SUAUILGSCPYJCS-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3
SMILES Code
COc1c(C(C)(C)C)cc([N+]([O-])=O)c(C)c1[N+]([O-])=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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 268.27 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.

Recalculate based on batch purity %
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: Ramos S, Homem V, Santos L. Analytical methodology to screen UV-filters and synthetic musk compounds in market tomatoes. Chemosphere. 2020 Jan;238:124605. doi: 10.1016/j.chemosphere.2019.124605. Epub 2019 Aug 16. PMID: 31450107. 2: Qu L, Zeng J, Zhao C, Song W. [Determination of 11 synthetic musks in imported seafood by solid phase extraction and gas chromatography-mass spectrometry]. Se Pu. 2018 Aug 8;36(8):795-802. Chinese. doi: 10.3724/SP.J.1123.2018.02022. PMID: 30251504. 3: Qu L, Zhao C, Wang C, Gu S, Zhang M, Deng X, Song W. A Novel Zebrafish (Danio rerio) Assay for Assessing Musk Ambrette-Induced Toxicity. Bull Environ Contam Toxicol. 2018 Jul;101(1):80-85. doi: 10.1007/s00128-018-2363-z. Epub 2018 May 30. PMID: 29846757. 4: Ribeiro H, Ramos S, Homem V, Santos L. Can coastline plant species be used as biosamplers of emerging contaminants? - UV-filters and synthetic musks as case studies. Chemosphere. 2017 Oct;184:1134-1140. doi: 10.1016/j.chemosphere.2017.06.084. Epub 2017 Jun 20. PMID: 28672694. 5: Homem V, Magalhães I, Alves A, Santos L. Assessing seasonal variation of synthetic musks in beach sands from Oporto coastal area: A case study. Environ Pollut. 2017 Jul;226:190-197. doi: 10.1016/j.envpol.2017.04.022. Epub 2017 Apr 18. PMID: 28431318. 6: Yin J, Wang H, Li J, Wu Y, Shao B. Occurrence of synthetic musks in human breast milk samples from 12 provinces in China. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2016 Jul;33(7):1219-27. doi: 10.1080/19440049.2016.1201219. Epub 2016 Jul 4. PMID: 27310419. 7: Saravanan S, Balachandran V, Vishwanathan K. Conformational stability, molecular orbital studies (chemical hardness and potential), vibrational investigation and theoretical NBO analysis of 4-tert- butyl-3-methoxy-2,6-dinitrotoluene. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Apr 24;124:451-69. doi: 10.1016/j.saa.2014.01.059. Epub 2014 Jan 21. PMID: 24508884. 8: Aguirre J, Bizkarguenaga E, Iparraguirre A, Fernández LÁ, Zuloaga O, Prieto A. Development of stir-bar sorptive extraction-thermal desorption-gas chromatography-mass spectrometry for the analysis of musks in vegetables and amended soils. Anal Chim Acta. 2014 Feb 17;812:74-82. doi: 10.1016/j.aca.2013.12.036. Epub 2014 Jan 3. PMID: 24491767. 9: Chuah SY, Leow YH, Goon AT, Theng CT, Chong WS. Photopatch testing in Asians: a 5-year experience in Singapore. Photodermatol Photoimmunol Photomed. 2013 Jun;29(3):116-20. doi: 10.1111/phpp.12034. PMID: 23651271. 10: Llompart M, Celeiro M, Pablo Lamas J, Sanchez-Prado L, Lores M, Garcia-Jares C. Analysis of plasticizers and synthetic musks in cosmetic and personal care products by matrix solid-phase dispersion gas chromatography-mass spectrometry. J Chromatogr A. 2013 Jun 7;1293:10-9. doi: 10.1016/j.chroma.2013.03.067. Epub 2013 Mar 30. PMID: 23622555. 11: Cavalheiro J, Prieto A, Monperrus M, Etxebarria N, Zuloaga O. Determination of polycyclic and nitro musks in environmental water samples by means of microextraction by packed sorbents coupled to large volume injection-gas chromatography-mass spectrometry analysis. Anal Chim Acta. 2013 Apr 22;773:68-75. doi: 10.1016/j.aca.2013.02.036. Epub 2013 Mar 1. PMID: 23561908. 12: Wang Z. [Determination of synthetic nitro-musks in cosmetics by gas chromatography coupled with negative chemical ionization-triple quadrupole mass spectrometry]. Se Pu. 2012 Nov;30(11):1178-82. Chinese. doi: 10.3724/sp.j.1123.2012.07003. PMID: 23451522. 13: Kubwabo C, Fan X, Rasmussen PE, Wu F. Determination of synthetic musk compounds in indoor house dust by gas chromatography-ion trap mass spectrometry. Anal Bioanal Chem. 2012 Aug;404(2):467-77. doi: 10.1007/s00216-012-6124-2. Epub 2012 Jun 9. PMID: 22684881. 14: Wang G, Tang H, Chen D, Feng J, Li L. [Determination of five synthetic musks in perfume by headspace solid-phase microextraction and gas chromatography-mass spectrometry]. Se Pu. 2012 Feb;30(2):135-40. Chinese. doi: 10.3724/sp.j.1123.2011.10018. PMID: 22679826. 15: Hutter HP, Wallner P, Moshammer H, Hartl W, Sattelberger R, Lorbeer G, Kundi M. Synthetic musks in blood of healthy young adults: relationship to cosmetics use. Sci Total Environ. 2009 Aug 15;407(17):4821-5. doi: 10.1016/j.scitotenv.2009.05.026. Epub 2009 Jun 10. PMID: 19520417. 16: Zietz BP, Hoopmann M, Funcke M, Huppmann R, Suchenwirth R, Gierden E. Long- term biomonitoring of polychlorinated biphenyls and organochlorine pesticides in human milk from mothers living in northern Germany. Int J Hyg Environ Health. 2008 Oct;211(5-6):624-38. doi: 10.1016/j.ijheh.2008.04.001. Epub 2008 Jun 11. PMID: 18550430. 17: Kanchan PA, Shenoi SD, Balachandran C. Five years experience of photopatch testing in 50 patients. Indian J Dermatol Venereol Leprol. 2002 Mar- Apr;68(2):86-7. PMID: 17656886. 18: Gotti R, Fiori J, Mancini F, Cavrini V. Analysis of neutral nitromusks in incenses by capillary electrophoresis in organic solvents and gas chromatography-mass spectrometry. Electrophoresis. 2005 Sep;26(17):3325-32. doi: 10.1002/elps.200500235. PMID: 16080214. 19: Nakata H. Occurrence of synthetic musk fragrances in marine mammals and sharks from Japanese coastal waters. Environ Sci Technol. 2005 May 15;39(10):3430-4. doi: 10.1021/es050199l. PMID: 15952346. 20: Bauer M, Hilpert F, Arnold N, Pfisterer J, Jonat W, Kruse H. Simultaneous congener-specific determination of selected organochlorine compounds and nitro musks in human whole blood samples by solid-phase extraction and capillary gas chromatography with electron capture detection. J Anal Toxicol. 2005 Mar;29(2):110-7. doi: 10.1093/jat/29.2.110. PMID: 15902979.