CAS 81-14-1|Musk ketone

Introduction：Basic information about CAS 81-14-1|Musk ketone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Musk ketone BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Articles37
7. Synonyms

Common Name	Musk ketone
CAS Number	81-14-1	Molecular Weight	294.30
Density	1.2±0.1 g/cm3	Boiling Point	369.0±42.0 °C at 760 mmHg
Molecular Formula	C₁₄H₁₈N₂O₅	Melting Point	135-139 °C(lit.)
MSDS	ChineseUSA	Flash Point	153.2±20.7 °C
Symbol	GHS08, GHS09	Signal Word	Warning

Names

Name	musk ketone
Synonym	More Synonyms

Musk ketone BiologicalActivity

Description	Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3].
Related Catalog	Signaling Pathways >>Apoptosis >>ApoptosisSignaling Pathways >>PI3K/Akt/mTOR >>PI3KSignaling Pathways >>PI3K/Akt/mTOR >>AktResearch Areas >>Neurological Disease
References	[1]. Yamagishi T, et al. Identification of musk xylene and musk ketone in freshwater fish collected from the Tama River, Tokyo. Bull Environ Contam Toxicol. 1981 May;26(5):656-62. [2]. Mersch-Sundermann V, et al. Musk ketone enhances benzo(a)pyrene induced mutagenicity in human derived Hep G2 cells. Mutat Res. 2001 Aug 22;495(1-2):89-96. [3]. Zhou Z, et al. Musk Ketone Induces Neural Stem Cell Proliferation and Differentiation in Cerebral Ischemia via Activation of the PI3K/Akt Signaling Pathway. Neuroscience. 2020 May 21;435:1-9.

Description

Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis[1][2][3].

Related Catalog

Signaling Pathways >>Apoptosis >>ApoptosisSignaling Pathways >>PI3K/Akt/mTOR >>PI3KSignaling Pathways >>PI3K/Akt/mTOR >>AktResearch Areas >>Neurological Disease

References

[1]. Yamagishi T, et al. Identification of musk xylene and musk ketone in freshwater fish collected from the Tama River, Tokyo. Bull Environ Contam Toxicol. 1981 May;26(5):656-62.

[2]. Mersch-Sundermann V, et al. Musk ketone enhances benzo(a)pyrene induced mutagenicity in human derived Hep G2 cells. Mutat Res. 2001 Aug 22;495(1-2):89-96.

[3]. Zhou Z, et al. Musk Ketone Induces Neural Stem Cell Proliferation and Differentiation in Cerebral Ischemia via Activation of the PI3K/Akt Signaling Pathway. Neuroscience. 2020 May 21;435:1-9.

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	369.0±42.0 °C at 760 mmHg
Melting Point	135-139 °C(lit.)
Molecular Formula	C₁₄H₁₈N₂O₅
Molecular Weight	294.30
Flash Point	153.2±20.7 °C
Exact Mass	294.121582
PSA	108.71000
LogP	3.86
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.548
InChIKey	WXCMHFPAUCOJIG-UHFFFAOYSA-N
SMILES	CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C
Stability	Stable. Incompatible with strong oxidizing agents, strong acids, strong bases.
Water Solubility	Insoluble (

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KM5775841

CHEMICAL NAME :: Ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophen yl)-

CAS REGISTRY NUMBER :: 81-14-1

BEILSTEIN REFERENCE NO. :: 2062638

LAST UPDATED :: 199712

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C14-H18-N2-O5

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,877,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,877,1975

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 26,656,1981

Safety Information

Symbol	GHS08, GHS09
Signal Word	Warning
Hazard Statements	H351-H410
Precautionary Statements	P273-P281-P501
Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	F: Flammable;Xn: Harmful;
Risk Phrases	R11
Safety Phrases	S16-S36/37
RIDADR	UN1648 3/PG 2
WGK Germany	2
RTECS	KM5775841
Hazard Class	3.0

Articles37

Atmospheric pressure gas chromatography-time-of-flight-mass spectrometry (APGC-ToF-MS) for the determination of regulated and emerging contaminants in aqueous samples after stir bar sorptive extraction (SBSE).

Anal. Chim. Acta 851 , 1-13, (2014)

This work presents the development, optimization and validation of a multi-residue method for the simultaneous determination of 102 contaminants, including fragrances, UV filters, repellents, endocrin...

Non-animal photosafety screening for complex cosmetic ingredients with photochemical and photobiochemical assessment tools.

Regul Toxicol Pharmacol 72 , 578-85, (2015)

Previously, a non-animal screening approach was proposed for evaluating photosafety of cosmetic ingredients by means of in vitro photochemical and photobiochemical assays; however, complex cosmetic in...

On-line coupling of solid-phase extraction to gas chromatography-mass spectrometry to determine musk fragrances in wastewater.

J. Chromatogr. A. 1364 , 1-11, (2014)

An on-line coupling solid-phase extraction (SPE) has been developed for the first time to preconcentrate trace amounts of 17 musk fragrances extensively used in personal care products (6 polycyclic mu...

Synonyms

KETONE MOSCHUS

Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- (8CI)

4-acetyl-1-tert-butyl-3,5-dimethyl-2-nitro-6-aminobenzene

2-acetyl-5-tert-butyl-4,6-dinitroxylene

3-METHYLCYCLOPENTADECANONE (D,L-MUSCONE)

EINECS 201-328-9

1-tert-butyl-3,5-dimethyl-2,6-dinitro-4-acetylbenzene

4'-tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenone

4-tert-butyl-3,5-dinitro-2,6-dimethyl-acetophenone

MOSCHUS

3,5-dinitro-2,6-dimethyl-4-t-butylacetophenone

1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone

Ketone musk

1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanon

Dinitro-tert-butylxylyl methyl ketone

MOSCHUS KETON

Ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-

Musk ketone

MFCD00024271

Acetyl-dinitro-butyl-xylene

1-[2,6-Dimethyl-4-(2-methyl-2-propanyl)-3,5-dinitrophenyl]ethanone

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