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60720

Sigma-Aldrich

Ketone Moschus

≥97.0% (N)

Synonym(s):

4-tert-Butyl-2,6-dimethyl-3,5-dinitroacetophenone, Musk ketone

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About This Item

Empirical Formula (Hill Notation):
C14H18N2O5
CAS Number:
81-14-1
Molecular Weight:
294.30
Beilstein:
2062638
EC Number:
201-328-9
MDL number:
MFCD00024271
UNSPSC Code:
12352100
PubChem Substance ID:
57651781
NACRES:
NA.22

Assay

≥97.0% (N)

mp

134-137 °C

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

Pictograms

Health hazardEnvironment
GHS08,GHS09

Signal Word

Warning

Hazard Statements

H351,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Carc. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

>334.4 °F - closed cup

Flash Point(C)

> 168 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
Sabine Schnell et al.
Environmental science & technology, 43(24), 9458-9464 (2009-11-26)
Synthetic musks are widely used as perfuming agents in products, such as cosmetics, detergents, and soaps. The increased detection of these substances in the aquatic environment and their high bioconcentration potential raises concerns about potential effects on aquatic species. This
Emiel Rorije et al.
Alternatives to laboratory animals : ATLA, 41(1), 77-90 (2013-04-26)
Read-across as a non-animal testing alternative for the generation of risk assessment data can be useful in those cases where quantitative structure-activity relationship (QSAR) models are not available, or are less well developed. This paper provides read-across case studies for
Haruhiko Nakata
Environmental science & technology, 39(10), 3430-3434 (2005-06-15)
In this study, the occurrence of the polycyclic musk fragrances HHCB (1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran) and AHTN (7-acetyl-1,1,3,4,4,6-hexamethyltetrahydeonaphthalene) in marine mammals and sharks collected from Japanese coastal waters is reported. HHCB was present in the blubbers of all finless porpoises (Neophocaena phocaenoides) analyzed
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