Identification

Numero CAS

6846-50-0

Nom scientifique (FR)

Diisobutyrate de 1-Isopropyl-2,2-Diméthyltriméthylène

Nom scientifique (EN)

[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate

Autres dénominations scientifiques (Autre langues)

1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate (ester) ; 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate ; 2,2,4-Trimethylpentanediol-1,3-diisobutyrate ; Isobutyric acid, 1-isopropyl-2,2-dimethyl trimethylene ester ; Propanoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester ; Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester

Code EC

229-934-9

Code SANDRE

5504

Number CIPAC

-

Formule chimique brute

\(\ce{ C16H30O4 }\)

Code InChlKey

OMVSWZDEEGIJJI-UHFFFAOYSA-N

Code SMILES

O=C(OCC(C)(C)C(OC(=O)C(C)C)C(C)C)C(C)C

Generalities

Poids moléculaire

286.41 g/mol

Parameters table

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Pression de vapeur 0.088 Pa
mesurée à 25°C
UNEP (2005) p.7
Point de fusion -10 °C UNEP (2005) p.7
Coefficient de partage octanol/eau (Log Kow) 4.11 -
Valeur miminale mesurée à 25°C
UNEP (2005) p.7
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Bibliography

Matrixes

Terrestrial environment

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Coefficient de partage carbone organique/Eau (Koc) 490 L.kg-1 Calcul EPA
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Persistence

Biodegradability

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

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Hydrolyse 178 jour
à pH 9
UNEP (2005) p.7
Photolyse 33106 jour
estimée
UNEP (2005) p.7
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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 31 -
carpe - poisson - valeur maximale mesurée - 6 semaines à 25°C
UNEP (2005) p.7
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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 8 mg.L-1 Algue UNEP (2005) p.7
CL/CE50 300 mg.L-1 Invertebré UNEP (2005) p.7
CL/CE50 18 mg.L-1 Poisson UNEP (2005) p.7
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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 chronique / AA-QSwater_eco 0.032 mg.L-1 Eau douce 100
extrapolation
Yes UNEP (2005) p.7
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