Identification

Numero CAS

81-14-1

Nom scientifique (FR)

4'-Tert-Butyl-2',6'-Diméthyl-3',5'-Dinitroacétophénone

Nom scientifique (EN)

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

Autres dénominations scientifiques (FR)

musc cetone

Autres dénominations scientifiques (Autre langues)

1-(4-(1,1-Dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)ethanone ; 2-Acetyl-5-tert-butyl-4,6-dinitroxylene ; Acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro- ; Ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)- ; ketone

Code EC

201-328-9

Code SANDRE

6687

Number CIPAC

-

Formule chimique brute

\(\ce{ C14H18N2O2 }\)

Code InChlKey

WXCMHFPAUCOJIG-UHFFFAOYSA-N

Code SMILES

O=C(c(c(c(N(=O)=O)c(c1N(=O)=O)C(C)(C)C)C)c1C)C

CLP classification

Type de classification

Harmonisée

ATP insertion

ATP01

Description de la classification

Classification harmonisée selon réglement 1272/2008 ou CLP

Hazard statements
Hazard statement - Code H351
Hazard statement - Text Susceptible de provoquer le cancer (indiquer la voie d'exposition s'il est formellement prouvé qu'aucune autre voie d'exposition ne conduit au même danger)
Hazard class(es) Cancerogénicité
EU hazard label -
Specific concentration limits -
M factor -
Acute toxicity estimate -
ECHA sheet
ECHA sheet

Regulations

Generalities

Poids moléculaire

294.30 g/mol

Parameters table

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Hydrosolubilité 0.46 mg.L-1
mesurée
ECB p.112
Densité 0.73 - ECB p.112
Pression de vapeur 4,00E-05 Pa
à 20°C, calculée
ECB p.112
Point de fusion 136 °C ECB p.112
Constante de Henry 0.026 Pa.m3.mol-1
calculée
ECB p.112
Coefficient de partage octanol/eau (Log Kow) 4.3 -
mesuré par la methode HPLC
ECB p.112
Coefficient de partage octanol/eau (Log Kow) 4.6 - Expérimentation EPA
Options
Download Display full table
This is a preview

This table has too many entries to display it completely. For a full display, use one of the options above.

Bibliography

Matrixes

Fresh water environment

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Coefficient de partage eau matière en suspension 380.2 L.kg-1
calculé à partir du Koc (TGD)
ECB p.112
Options
Download Display full table
This is a preview

This table has too many entries to display it completely. For a full display, use one of the options above.

Sediment fresh water environment

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Coefficient de partage eau sédiment 190.1 L.kg-1
calculé à partir du Koc (TGD)
ECB p.112
Options
Download Display full table
This is a preview

This table has too many entries to display it completely. For a full display, use one of the options above.

Terrestrial environment

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Coefficient de partage carbone organique/Eau (Koc) 3802 L.kg-1
calculé à partir du Kow
ECB p.112
Coefficient de partage eau/sol 76.04 L.kg-1
calculé à partir du Koc (TGD)
ECB p.112
Options
Download Display full table
This is a preview

This table has too many entries to display it completely. For a full display, use one of the options above.

Persistence

Biodegradability

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Biodégradabilité non biodégradable -
Options
Download Display full table
This is a preview

This table has too many entries to display it completely. For a full display, use one of the options above.

Bioaccumulation

Aquatic organisms

Organismes aquatiques
ineris name Specie Value Trofic level Taxon Matrix Life stage Effect Detailed effect Duration of exposure ineris method Guideline Commentary Source
Bioaccumulation BCF 1380 -
Onchorynchus mykiss - poisson - valeur mesurée
ECB p.112
Bioaccumulation BCF 920 -
poisson - valeur estimée, QSAR
ECB p.112
Options
Download Display full table
This is a preview

This table has too many entries to display it completely. For a full display, use one of the options above.

Bibliography

Hazards

Hazard values

Valeurs de danger
ineris name Specie Value Trofic level Taxon Matrix Life stage Effect Detailed effect Duration of exposure ineris method Guideline Commentary Source
CL/CE50 0.12 mg.L-1 Algue ECB p.112
CL/CE50 0.17 mg.L-1 Invertebré ECB p.112
CL/CE50 >0.5 mg.L-1 Poisson ECB p.112
Options
Download Display full table
This is a preview

This table has too many entries to display it completely. For a full display, use one of the options above.

Ecotoxicological values

Guide values

Valeurs guides
ineris name Value Matrix Target Critical effect retained Duration of exposure Factor Commentary Status state Value retained by INERIS Year Source
PNEC 3.9 mg.L-1 Station d'épuration 10
Valeur minimale de la PNEC. - extrapolation
Yes ECB p.112
PNEC / QSsed 0.5 mg/kg (poids sec) Sédiments
equilibre de partage
Yes ECB p.112
PNEC chronique / AA-QSwater_eco 0.0063 mg.L-1 Eau douce 10
extrapolation
Yes ECB p.112
Options
Download Display full table
This is a preview

This table has too many entries to display it completely. For a full display, use one of the options above.

Bibliography

Export substance

Choose the format of the export :