Identification

Numero CAS

25265-77-4

Nom scientifique (FR)

Acide isobutyrique, monoester avec 2,2,4-triméthylpentane-1,3-diol

Nom scientifique (EN)

Isobutyric acid, monoester with 2,2,4-trimethylpentane-1,3-diol

Autres dénominations scientifiques (Autre langues)

Isobuttersäure, Monoester mit 2,2,4-Trimethylpentan-1,3-diol ; Haltanol ; (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate ; 1-hydroxy-2,2,4-trimethylpentan-3-yl 2-methylpropanoate 3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate ; 2,2,4-trimethyl-1,3-pentanediol mono(2-methylpropanoate) ; 3-hydroxy-2,2,4-trimethylpentyl 2-methylpropanoate ; Propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol ; 1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate

Code EC

246-771-9

Code SANDRE

-

Number CIPAC

-

Formule chimique brute

\(\ce{ C12H24O3 }\)

Code InChlKey

DAFHKNAQFPVRKR-UHFFFAOYSA-N

Code SMILES

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

Generalities

Poids moléculaire

216.32 g/mol

Parameters table

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Hydrosolubilité 858 mg.L-1
à 18-22°C dans l'eau distillée
UNEP (1996) Vol.3 p.45
Densité 0.95 - UNEP (1996) Vol.3 p.45
Pression de vapeur 1.3 Pa
à 20°C
UNEP (1996) Vol.3 p.45
Point de fusion -50 °C UNEP (1996) Vol.3 p.45
Coefficient de partage octanol/eau (Log Kow) 3.47 -
mesuré à 25°C
UNEP (1996) Vol.3 p.45
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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) 29.37 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 facilement biodégradable -
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Abiotic degradability

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Hydrolyse 16.5 jour
pour le premier isomère à pH 9 et à 25°C
UNEP (1996) Vol.3 p.45
Hydrolyse 4.29 jour
pour le deuxième isomère à pH 9 et à 25°C
UNEP (1996) Vol.3 p.45
Photolyse 16.67 jour UNEP (1996) Vol.3 p.45
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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 44.07 - Calcul EPA
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Accidental values

Other accidental thresholds

Other accidental thresholds
ineris name Duration Value Source Status state Commentary
PAC-1 60 min 13 mg.m-3 EHSS (2018) Final
TEEL-2/11, TEEL-3/6, rat oral LDLo
PAC-2 60 min 140 mg.m-3 EHSS (2018) Final
TEEL-2/11, TEEL-3/6, rat oral LDLo
PAC-3 60 min 840 mg.m-3 EHSS (2018) Final
TEEL-2/11, TEEL-3/6, rat oral LDLo
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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 18.4 mg.L-1 Algue UNEP (1996) Vol.3 p.45
CL/CE50 >=95 mg.L-1 Invertebré UNEP (1996) Vol.3 p.45
CL/CE50 30 mg.L-1 Poisson UNEP (1996) Vol.3 p.45
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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 0.0184 mg.L-1 Eau douce 1000
PNEC proposée par l'INERIS. - extrapolation
Yes UNEP (1996) Vol.3 p.45
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