Identification

Numero CAS

37971-36-1

Nom scientifique (FR)

Acide 2-phosphonobutane-1,2,4-tricarboxylique

Nom scientifique (EN)

2-phosphonobutane-1,2,4-tricarboxylic acid

Autres dénominations scientifiques (Autre langues)

2-phosophonobutane-1,2,4-tricarboxylic acid ; 2-phosphonobutane-1,2,4-tricarboxylic acid ; 1h-imidazole, 2-ethyl-5-methyl- ; 1,2,4-butanetricarboxylic acid, 2-phosphono- ; 2-phosphono-1,2,4-butanetricarboxylic acid ; 2-phosphono butane-1,2,4-tricarboxylic acid ; phosphonobutanetricarboxylic acid ; 2-phosphonobutane-1,2,4-tricarboxylic acid (ca. 50% in water) ; 2-phosphonobutane-1,2,4-tricarboxylicacid ; 2-phosphonobutane-1,2,4-tricarboxylic acid(50% aqueous solution) ; 2- phosphonobutane ?1,2,4-tricarboxylic acid, tetra sodium salt ; pbtca ; '37971-36-1 ; butane-1,2,4-tricarboxylic acid, 2-phosphono- ; butanetricarboxylic acid, 2-phosphono-1,2,4- ; 2-phosphonobutane-1,2,4-tricarbonic acid ; 2-phosphonobutane-1,2,4-tricarboxylic acid ; sodium 1,2,4-butanetricarboxylic acid 2-phosphonate

Code EC

252-733-5

Code SANDRE

-

Number CIPAC

-

Formule chimique brute

\(\ce{ C7H11O9P }\)

Code InChlKey

SZHQPBJEOCHCKM-UHFFFAOYSA-N

Code SMILES

O=C(O)C(P(=O)(O)O)(CC(=O)O)CCC(=O)O

Generalities

Poids moléculaire

270.13 g/mol

Parameters table

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Densité 1.3 - UNEP (1996) Vol.3 p.65
Pression de vapeur 11400 Pa
à 50°C, mesurée pour le produit commercial qui est à 50% aqueux. La pression de vapeur du PBTC pur est présumée très basse.
UNEP (1996) Vol.3 p.65
Point de fusion -15 °C UNEP (1996) Vol.3 p.65
Constante de Henry 1.19e-21 Pa.m3.mol-1
estimée
UNEP (1996) Vol.3 p.65
Coefficient de partage octanol/eau (Log Kow) -1.36 - Calcul USETOX (2011)
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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 125 L.kg-1
calculé à partir du Koc (TGD)
UNEP (1996) Vol.3 p.65
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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 62.5 L.kg-1
calculé à partir du Koc (TGD)
UNEP (1996) Vol.3 p.65
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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) 1250 L.kg-1
estimé
UNEP (1996) Vol.3 p.65
Coefficient de partage eau/sol 25 L.kg-1
calculé à partir du Koc (TGD)
UNEP (1996) Vol.3 p.65
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Persistence

Biodegradability

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

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Temps de demie vie eau douce 7 jour
mesurée à une profondeur de 40 cm pour le complexe PBTC/Fe
UNEP (1996) Vol.3 p.65
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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 3.162 - Calcul EPA
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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 140 mg.L-1 Algue UNEP (1996) Vol.3 p.65
CL/CE50 265 mg.L-1 Invertebré UNEP (1996) Vol.3 p.65
CL/CE50 >500 mg.L-1 Poisson UNEP (1996) Vol.3 p.65
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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 1.78 mg.L-1 Eau douce 10
extrapolation
Yes UNEP (1996) Vol.3 p.65
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