Identification

Numero CAS

79-77-6

Nom scientifique (FR)

(E)-4-(2,6,6-Triméthyl-1-Cyclohexène-1-Yl)-3-Butène-2-One

Nom scientifique (EN)

(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

Autres dénominations scientifiques (Autre langues)

(E)-beta-Ionone ; trans-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one ; trans-beta-Ionone

Code EC

201-224-3

Code SANDRE

-

Number CIPAC

-

Formule chimique brute

\(\ce{ C13H20O }\)

Code InChlKey

PSQYTAPXSHCGMF-BQYQJAHWSA-N

Code SMILES

O=C(C=CC(=C(CCC1)C)C1(C)C)C

Generalities

Poids moléculaire

192.30 g/mol

Parameters table

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Hydrosolubilité 169 mg.L-1
à 25°C
UNEP (2006) p.171
Densité 0.9447 - UNEP (2006) p.171
Pression de vapeur 0.9 Pa
calculée à 25°C
UNEP (2006) p.171
Point de fusion -32 °C UNEP (2006) p.171
Constante de Henry 1.023 Pa.m3.mol-1
calculée
UNEP (2006) p.171
Constante de Henry 17.6 Pa.m3.mol-1
calculée
UNEP (2006) p.171
Coefficient de partage octanol/eau (Log Kow) 4 -
mesuré à 25°C
UNEP (2006) p.171
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Matrixes

Terrestrial environment

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Coefficient de partage carbone organique/Eau (Koc) 2200 L.kg-1
entre 630 et 2200 L/Kg
UNEP (2006) p.171
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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 0.067 jour UNEP (2006) p.171
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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 501 -
calculé
UNEP (2006) p.171
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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 22.2 mg.L-1 Algue UNEP (2006) p.171
CL/CE50 3.7 mg.L-1 Invertebré UNEP (2006) p.171
CL/CE50 5.09 mg.L-1 Poisson UNEP (2006) p.171
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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 830 mg.L-1 Station d'épuration 10
extrapolation
Yes UNEP (2006) p.171
PNEC chronique / AA-QSwater_eco 0.0037 mg.L-1 Eau douce 1000
extrapolation
Yes UNEP (2006) p.171
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