Acide 4-tert-butylbenzoïque (98-73-7)

General informations

Last verification the 06/06/2017

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Identification

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Numero CAS

98-73-7

Nom scientifique (FR)

Acide 4-Tert-Butylbenzoïque

Nom scientifique (EN)

4-tert-butylbenzoic acid

Autres dénominations scientifiques (FR)

Acide p-tert-butylbenzoïque

Autres dénominations scientifiques (Autre langues)

benzoic acid, 4-(1,1-dimethylethyl)- ; benzoic acid, 4-tert-butyl- ; benzoic acid, p-tert-butyl- ; p-tert-butyl benzoic acid

Code EC

202-696-3

Code SANDRE

-

Number CIPAC

-

Formule chimique brute

\(\ce{ C11H14O2 }\)

Code InChlKey

KDVYCTOWXSLNNI-UHFFFAOYSA-N

Code SMILES

O=C(O)c(ccc(c1)C(C)(C)C)c1

CLP classification

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Type de classification

Harmonisée

ATP insertion

ATP03

Description de la classification

Classification harmonisée selon réglement 1272/2008 ou CLP

Hazard statements

Toxique, irritant, sensibilisant, narcotique.

H302

Sensibilisant, cancérogène, mutagène, reprotoxique

H360F

H372

Hazard statement - Code	H302
Hazard statement - Text	Nocif en cas d'ingestion
Hazard class(es)	Toxicité aiguë
EU hazard label	-
Specific concentration limits	-
M factor	-
Acute toxicity estimate	-

ECHA sheet

Hazard statement - Code	H360F
Hazard statement - Text	Peut nuire à la Fertilité.
Hazard class(es)	Toxicité pour la reproduction
EU hazard label	-

Hazard statement - Code	H372
Hazard statement - Text	Risque avéré d'effets graves pour les organes (indiquer tous les organes affectés, s'ils sont connus) à la suite d'expositions répétées ou d'une exposition prolongée (indiquer la voie d'exposition s'il est formellement prouvé qu'aucune autre voie d'exposition ne conduit au même danger)
Hazard class(es)	Toxicité spécifique pour certains organes cibles (exposition répétée)
EU hazard label	-
Specific concentration limits	-
M factor	-
Acute toxicity estimate	-

ECHA sheet

Regulations

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Règlement CLP - Annexe VI - Classification et étiquetage harmonisés pour certaines substances dangereuses

Physico Chemistry

Last verification the 06/06/2017

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Generalities

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Poids moléculaire

178.23 g/mol

Parameters table

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Parameters table
Value name	Value	Commentary	Source
Hydrosolubilité	47.1 mg.L^-1	à 20°C à pH 4,3	ECB p.63
Densité	1.142 -		ECB p.63
Pression de vapeur	0.057 Pa	à 20°C	ECB p.63
Point de fusion	166 °C		ECB p.63
Constante de Henry	0.216 Pa.m³.mol^-1	calculée	ECB p.63
Coefficient de partage octanol/eau (Log Kow)	3.4 -	mesuré par la méthode HPLC à 21°C	ECB p.63

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Behavior

Last verification the 06/06/2017

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Matrixes

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Fresh water environment

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Parameters table
Value name	Value	Temperature	Pressure	Granulometry	Humidity	Guideline	ineris method	Commentary	Source
Coefficient de partage eau matière en suspension	0.052 L.kg^-1							calculé à partir du Koc (TGD)	ECB p.63

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Sediment fresh water environment

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Parameters table
Value name	Value	Temperature	Pressure	Granulometry	Humidity	Guideline	ineris method	Commentary	Source
Coefficient de partage eau sédiment	0.026 L.kg^-1							calculé à partir du Koc (TGD)	ECB p.63

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Terrestrial environment

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Parameters table
Value name	Value	Temperature	Pressure	Granulometry	Humidity	Guideline	ineris method	Commentary	Source
Coefficient de partage carbone organique/Eau (Koc)	0.52 L.kg^-1							calculé	ECB p.63
Coefficient de partage eau/sol	0.01 L.kg^-1							calculé à partir du Koc (TGD)	ECB p.63

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Persistence

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Biodegradability

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Parameters table
Value name	Value	Temperature	Pressure	Granulometry	Humidity	Guideline	ineris method	Commentary	Source
Biodégradabilité	non facilement biodégradable -

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Abiotic degradability

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Parameters table
Value name	Value	Temperature	Pressure	Granulometry	Humidity	Guideline	ineris method	Commentary	Source
Photolyse	6.13 jour							calculée	ECB p.63

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Fresh water environment

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Parameters table
Value name	Value	Temperature	Pressure	Granulometry	Humidity	Guideline	ineris method	Commentary	Source
Temps de demie vie eau douce	26 jour							dans les eaux de rivière	ECB p.63

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Sea water environment

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Parameters table
Value name	Value	Temperature	Pressure	Granulometry	Humidity	Guideline	ineris method	Commentary	Source
Temps de demie vie eau de mer	9.5 jour							dans les eaux d'un port	ECB p.63

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Bioaccumulation

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Aquatic organisms

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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		10 -										calculé	ECB p.63

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Bibliography

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Toxicology

Last verification the 06/06/2017

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Accidental values

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Other accidental thresholds

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Other accidental thresholds
ineris name	Duration	Value	Source	Status state	Commentary
PAC-1	60 min	6 mg.m^-3	EHSS (2018)	Final	MAK-TWA x 3, TEEL-3/6, rat oral LD50
PAC-2	60 min	23 mg.m^-3	EHSS (2018)	Final	MAK-TWA x 3, TEEL-3/6, rat oral LD50
PAC-3	60 min	140 mg.m^-3	EHSS (2018)	Final	MAK-TWA x 3, TEEL-3/6, rat oral LD50

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Ecotoxicology

Last verification the 06/06/2017

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Hazards

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Hazard values

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Environment

Valeurs de danger
ineris name	Value	Taxon	Source
CL/CE50	2 mg.L^-1	Algue	ECB p.63
CL/CE50	24 mg.L^-1	Invertebré	ECB p.63
CL/CE50	4 mg.L^-1	Poisson	ECB p.63

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Ecotoxicological values

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Guide values

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Environment

Valeurs guides
ineris name	Value	Matrix	Factor	Commentary	Value retained by INERIS	Source
PNEC	32 mg.L^-1	Station d'épuration	10	extrapolation	Yes	ECB p.63
PNEC / QSsed	0.00159 mg/kg (poids sec)	Sédiments		equilibre de partage	Yes	ECB p.63
PNEC chronique / AA-QSwater_eco	0.002 mg.L^-1	Eau douce	1000	extrapolation	Yes	ECB p.63

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