1,1,3,3,5-pentamethyl-4,6-dinitroindane

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Names

[ CAS No. ]:
116-66-5

[ Name ]:
1,1,3,3,5-pentamethyl-4,6-dinitroindane

[Synonym ]:
Nitromusl moskene
Moskene
musk,oscene
1H-Indene,2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro
EINECS 204-149-4
Musk moskene
1,1,3,3,5-Pentamethyl-4,6-dinitroindane
MFCD00021242
4,6-DINITRO-1,1,3,3,5-PENTAMETHYLINDANE
Musk moskene solution
1,1,3,3,5-pentamethyl-4,6-dinitroindan

Chemical & Physical Properties

[ Density]:
1.182g/cm3

[ Boiling Point ]:
351.1ºC at 760mmHg

[ Molecular Formula ]:
C₁₄H₁₈N₂O₄

[ Molecular Weight ]:
278.30400

[ Flash Point ]:
145.3ºC

[ Exact Mass ]:
278.12700

[ PSA ]:
91.64000

[ LogP ]:
4.81670

[ Vapour Pressure ]:
8.49E-05mmHg at 25°C

[ Index of Refraction ]:
1.55

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NK5045000

CHEMICAL NAME :: Indan, 4,6-dinitro-1,1,3,3,5-pentamethyl-

CAS REGISTRY NUMBER :: 116-66-5

BEILSTEIN REFERENCE NO. :: 2163411

LAST UPDATED :: 199701

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C14-H18-N2-O4

MOLECULAR WEIGHT :: 278.34

WISWESSER LINE NOTATION :: L56T&J B1 B1 D1 D1 FNW G1 HNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,885,1979 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 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: 17,885,1979

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 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: 17,885,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1095 No. of Facilities: 1435 (estimated) No. of Industries: 3 No. of Occupations: 9 No. of Employees: 17329 (estimated) No. of Female Employees: 15024 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H302-H312-H319-H332

[ Precautionary Statements ]:
P210-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F: Flammable;Xn: Harmful;

[ Risk Phrases ]:
11-20/21/22-36

[ Safety Phrases ]:
S16;S36/S37

[ RIDADR ]:
UN 1648 3/PG 2

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,1,3,3,5-pentamethylindan
p-cymene
nitric acid

DownStream

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

Articles

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. 29(2) , 110-7, (2005)

Chlororganic compounds like pesticides or polychlorinated biphenyls (PCB) and nitro musks are environmental contaminants, which remain public health concerns because of their persistence in humans and...

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 773 , 68-75, (2013)

In this work the development and validation of a new procedure for the simultaneous determination of 9 nitro and polycyclic musk compounds: musk ambrette (MA), musk ketone (MK), musk mosken (MM), cele...

High-sensitivity analysis of six synthetic musks by ultra-performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry.

Anal. Chem. 83(12) , 4955-61, (2011)

The occurrence and potential toxicity of synthetic musks in environmental media have aroused concerns for the impacts of these chemicals on ecosystems and human health. Here, we present the first meth...

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1,1,3,3,5,5-Hexamethyl Cyclotrisilazane
1-iodo-1,1,3,3,5,5,6,6,6-nonafluorohexane
1,5-Diethoxy-1,1,3,3,5,5-hexamethyltrisiloxane
2-[E-2-(4-Diethylaminomethyl-phenyl)-vinyl]-benzoic acid
4,4-Diethoxy-2-butynoic acid
1-[5-(3-Pyridin-2-yl-1h-pyrazol-4-yl)-2,3-dihydro-indol-1-yl]-ethanone
Ethyl 2-[(1-phenylethyl)amino]propanoate
1-[4-Isocyanato-3,5-bis(1-methylethyl)phenyl]ethanone
4-Isocyanato-3,5-bis(1-methylethyl)benzonitrile
(1S,7R,8R)-3',3',9,9-tetrachlorospiro[bicyclo[5.2.0]nona-2,4-diene-8,4'-oxetane]-2'-one
2-(Aminomethyl)-4-(butan-2-yl)phenol
2,4-Dichloro-6-ethyl-5-methylpyrimidine
(4S)-6-Fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine

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