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W522902

Sigma-Aldrich

Musk ketone

≥98%

Synonym(s):

4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone, Ketone Moschus

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About This Item

Linear Formula:
(CH3)3CC6(NO2)2(CH3)2COCH3
CAS Number:
81-14-1
Molecular Weight:
294.30
Beilstein/REAXYS Number:
2062638
MDL number:
MFCD00024271
UNSPSC Code:
12164502
PubChem Substance ID:
24902093
NACRES:
NA.21
organoleptic:
woody
grade:
Fragrance grade
Halal
biological source:
synthetic
agency:
follows IFRA guidelines
food allergen:
no known allergens

biological source

synthetic

grade

Fragrance grade
Halal

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009

assay

≥98%

composition

Contains EU 1223/2009 restricted Musk Ketone

origin

China origin

mp

135-139 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

woody

SMILES string

CC(=O)c1c(C)c(c(c(c1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O

InChI

1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3

InChI key

WXCMHFPAUCOJIG-UHFFFAOYSA-N

Other Notes

may contain >0.1% Musk xylene

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Warning

hcodes

H351,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 2

flash_point_f

>334.4 °F - closed cup

flash_point_c

> 168 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
MKCD7756
MKBS7543V
STBD9242V
STBD4816V
STBD3847V

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Laurence Roosens et al.
Chemosphere, 69(10), 1540-1547 (2007-07-17)
Synthetic musks, such as 7-acetyl-1,1,3,4,4,6-hexamethyl-1,2,3,4-tetrahydronaphthalene (AHTN) and 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta-gamma-2-benzopyran (HHCB), musk ketone (MK) and musk xylene (MX), are used as an alternative for natural musk. Due to their widespread use, these synthetic compounds turned up in different environmental compartments, such as
Jessica L Reiner et al.
Environmental science & technology, 41(11), 3815-3820 (2007-07-07)
Synthetic musk compounds are used as additives in many consumer products, including perfumes, deodorants, and detergents. Earlier studies have reported the occurrence of synthetic musks in environmental and wildlife samples collected in the United States. In this study, human breast
Leah Wollenberger et al.
The Science of the total environment, 305(1-3), 53-64 (2003-04-03)
A nitro musk (musk ketone) and three polycyclic musks (Tonalide, Galaxolide and Celestolide) were tested for acute and subchronic effects on a marine crustacean, the calanoid copepod Acartia tonsa. Sublethal effects on A. tonsa larvae were investigated with a rapid
G G Rimkus et al.
Toxicology letters, 111(1-2), 5-15 (2000-01-12)
The monoamino metabolites of the nitro musk fragrances musk xylene (MX) and musk ketone (MK) were analysed simultaneously with their parent compounds by GC/ECD, GC/PND and GC/EI/MS in the various compartments of the aquatic environment. In this review the data
Ana Rita M Silva et al.
Analytical and bioanalytical chemistry, 396(5), 1853-1862 (2010-01-06)
Stir-bar-sorptive extraction with liquid desorption followed by large-volume injection and capillary gas chromatography coupled to mass spectrometry in selected ion monitoring acquisition mode (SBSE-LD/LVI-GC-MS(SIM)) has been developed to monitor ultra-traces of four musks (celestolide (ADBI), galaxolide (HHCB), tonalide (AHTN) and
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