Identification

Numero CAS

141-97-9

Nom scientifique (FR)

Acétoacétate d'éthyle

Nom scientifique (EN)

ethyl 3-oxobutanoate

Autres dénominations scientifiques (Autre langues)

1-ethoxybutane-1,3-dione ; ethyl acetoacetate ; Ethylacetoacetat ; Butanoic acid, 3-oxo-, ethyl ester

Code EC

205-516-1

Code SANDRE

-

Number CIPAC

-

Formule chimique brute

\(\ce{ C6H10O3 }\)

Code InChlKey

XYIBRDXRRQCHLP-UHFFFAOYSA-N

Code SMILES

O=C(OCC)CC(=O)C

Generalities

Poids moléculaire

130.14 g/mol

Parameters table

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Hydrosolubilité 125000 mg.L-1
à 16°C
ECB (2002) Vol.13 p.86
Densité 1.0325 - ECB (2002) Vol.13 p.86
Pression de vapeur 100 Pa
à 20°C
ECB (2002) Vol.13 p.86
Point de fusion -44 °C ECB (2002) Vol.13 p.86
Constante de Henry 0.104 Pa.m3.mol-1 ECB (2002) Vol.13 p.86
Coefficient de partage octanol/eau (Log Kow) 0.25 - ECB (2002) Vol.13 p.86
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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 1.413 L.kg-1
calculé à partir du Koc (TGD)
ECB (2002) Vol.13 p.86
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Sediment fresh water environment

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Coefficient de partage eau sédiment 0.706 L.kg-1
calculé à partir du Koc (TGD)
ECB (2002) Vol.13 p.86
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Terrestrial environment

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Coefficient de partage carbone organique/Eau (Koc) 14.125 L.kg-1
calculé
ECB (2002) Vol.13 p.86
Coefficient de partage eau/sol 0.283 L.kg-1
calculé à partir du Koc (TGD)
ECB (2002) Vol.13 p.86
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Persistence

Biodegradability

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

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Photolyse 10.3 jour ECB (2002) Vol.13 p.86
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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 0.325 -
poissons - valeur calculée
ECB (2002) Vol.13 p.86
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Accidental values

Other accidental thresholds

Other accidental thresholds
ineris name Duration Value Source Status state Commentary
PAC-1 60 min 12 mg.m-3 EHSS (2018) Final
TEEL-2/11, TEEL-3/6, rat oral LD50
PAC-2 60 min 130 mg.m-3 EHSS (2018) Final
TEEL-2/11, TEEL-3/6, rat oral LD50
PAC-3 60 min 790 mg.m-3 EHSS (2018) Final
TEEL-2/11, TEEL-3/6, rat oral LD50
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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 >500 mg.L-1 Algue ECB (2002) Vol.13 p.86
CL/CE50 790 mg.L-1 Invertebré ECB (2002) Vol.13 p.86
CL/CE50 275 mg.L-1 Poisson ECB (2002) Vol.13 p.86
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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 33 mg.L-1 Station d'épuration 1
extrapolation
Yes ECB (2002) Vol.13 p.86
PNEC chronique / AA-QSwater_eco 0.275 mg.L-1 Eau douce 1000
extrapolation
Yes ECB (2002) Vol.13 p.86
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