Identification

Numero CAS

111-36-4

Nom scientifique (FR)

Isocyanate de n-butyle

Nom scientifique (EN)

1-isocyanatobutane

Autres dénominations scientifiques (FR)

1-Isocyanatobutane

Autres dénominations scientifiques (Autre langues)

Butane, 1-isocyanato- ; Butyl isocyanate ; Butane, 1-isocyanato ; N-Butyl Isocyanate

Code EC

203-862-8

Code SANDRE

-

Number CIPAC

-

Formule chimique brute

\(\ce{ C5H9NO }\)

Code InChlKey

HNHVTXYLRVGMHD-UHFFFAOYSA-N

Code SMILES

O=C=NCCCC

Generalities

Poids moléculaire

99.13 g/mol

Parameters table

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Densité 0.88 - UNEP p.41
Pression de vapeur 25400 Pa
à 21°C
UNEP p.41
Point de fusion -75 °C UNEP p.41
Constante de Henry 1.66e-07 Pa.m3.mol-1
pour le n-butylamine
UNEP p.41
Constante de Henry 220 Pa.m3.mol-1
calculée à 25°C
UNEP p.41
Coefficient de partage octanol/eau (Log Kow) 2.26 - Calcul USETOX (2011)
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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) 275 L.kg-1
pour le n-Butyl isocyanate
UNEP p.41
Coefficient de partage carbone organique/Eau (Koc) 61 L.kg-1
pour le n-butylamine
UNEP p.41
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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 4 jour
calculée
UNEP p.41
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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 11 -
pour le n-butylisocyanate
UNEP p.41
Bioaccumulation BCF 3.2 -
pour le n-butylamine
UNEP p.41
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Accidental values

French acute toxicity threshold values

Le rapport de valeurs seuils de toxicité aiguë françaises est accessible dans la rubrique « Archives ». L’intégralité des rapports de valeurs seuils de toxicité aiguë françaises actuellement en vigueur est consultable dans le tableau des VSTAF.

French acute toxicity threshold values
ineris name Unit 1 min 10 min 20 min 30 min 60 min 120 min 240 min 480 min Source Status state Commentary
SELS (SELS 5%) mg.m-3 65 30 24 21 17 13 10 5 Final
SELS (SELS 5%) ppm 16 7,4 5,9 5,1 4,1 3,2 2,6 1,3 Final
SPEL (SEL 1%) mg.m-3 46 21 17 15 12 9 7 4 Final
SPEL (SEL 1%) ppm 11 5,3 4,2 3,7 2,9 2,3 1,8 0,9 Final
SEI mg.m-3 15 7,2 5,7 5 3,9 3,1 2,5 1,2 Final
SEI ppm 3,8 1,8 1,4 1,2 1 0,8 0,6 0,3 Final
SER mg.m-3 ND ND ND ND ND ND ND ND Final
Non Déterminé
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Other accidental thresholds

Other accidental thresholds
ineris name Duration Value Source Status state Commentary
AEGL-1 10 min NR ppm EPA Final
Not recommended due to insufficient data
AEGL-1 30 min NR ppm EPA Final
Not recommended due to insufficient data
AEGL-1 60 min NR ppm EPA Final
Not recommended due to insufficient data
AEGL-1 240 min NR ppm EPA Final
Not recommended due to insufficient data
AEGL-1 480 min NR ppm EPA Final
Not recommended due to insufficient data
AEGL-2 10 min 0,1 ppm EPA Final
AEGL-2 30 min 0,1 ppm EPA Final
AEGL-2 60 min 0,083 ppm EPA Final
AEGL-2 240 min 0,053 ppm EPA Final
AEGL-2 480 min 0,026 ppm EPA Final
AEGL-3 10 min 0,31 ppm EPA Final
AEGL-3 30 min 0,31 ppm EPA Final
AEGL-3 60 min 0,25 ppm EPA Final
AEGL-3 240 min 0,16 ppm EPA Final
AEGL-3 480 min 0,078 ppm EPA Final
ERPG-1 60 min 0,05 ppm AIHA (2022) Final
ERPG-2 60 min 0,2 ppm AIHA (2022) Final
ERPG-3 60 min 2 ppm AIHA (2022) Final
PAC-1 60 min 0,01 ppm EHSS (2018) Final
ERPG-1, AEGL-2, AEGL-3
PAC-2 60 min 0,083 ppm EHSS (2018) Final
ERPG-1, AEGL-2, AEGL-3
PAC-3 60 min 0,25 ppm EHSS (2018) Final
ERPG-1, AEGL-2, AEGL-3
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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 >0.14 mg.L-1 Algue UNEP p.41
CL/CE50 43 mg.L-1 Invertebré UNEP p.41
CL/CE50 24 mg.L-1 Poisson UNEP p.41
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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 0.00014 mg.L-1 Eau douce 1000
Valeur minimale de la PNEC. - extrapolation
Yes UNEP p.41
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Documents

PDF
111-36-4 -- isocyanate de butyle -- VSTAF-Rapp
Published the 21/01/2021
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