Identification

Numero CAS

78-59-1

Nom scientifique (FR)

3,5,5-Triméthylcyclohex-2-énone

Nom scientifique (EN)

3,5,5-trimethylcyclohex-2-en-1-one

Autres dénominations scientifiques (FR)

Isophorone; Isoacétophorone

Autres dénominations scientifiques (Autre langues)

isophorone ; 1,1,3-triméthyl-3-cyclohexène-5-one ; ; 2-cyclohexen-1-one, 3,5,5-trimethyl- ; 3,3,5-trimethyl-5-cyclohexen-1-one ; 3,5,5-trimethyl-2-cyclohexenone ; 3,5,5-trimethylcyclohex-2-ene-1-one ; 3,5,5-trimetil-2-cicloesen-1-one ; alpha-isophoron ; isoforone ; isooctopherone ; izoforon

Code EC

201-126-0

Code SANDRE

3346

Number CIPAC

-

Formule chimique brute

\(\ce{ C9H14O }\)

Code InChlKey

HJOVHMDZYOCNQW-UHFFFAOYSA-N

Code SMILES

O=C(C=C(CC1(C)C)C)C1

CLP classification

Type de classification

Harmonisée

ATP insertion

CLP00

Description de la classification

Classification harmonisée selon réglement 1272/2008 ou CLP

Hazard statements
Hazard statement - Code H302
Hazard statement - Text Nocif en cas d'ingestion
Hazard class(es) Toxicité aiguë
EU hazard label -
Hazard statement - Code H312
Hazard statement - Text Nocif par contact cutané
Hazard class(es) Toxicité aiguë
EU hazard label -
Hazard statement - Code H319
Hazard statement - Text Provoque une sévère irritation des yeux
Hazard class(es) Lésions oculaires graves/irritation oculaire
EU hazard label -
Hazard statement - Code H335
Hazard statement - Text Peut irriter les voies respiratoires
Hazard class(es) Toxicité spécifique pour certains organes cibles (exposition unique)
EU hazard label -
Specific concentration limits STOT SE 3;H335: C ≥ 10 %
M factor -
Acute toxicity estimate -
ECHA sheet
ECHA sheet

Regulations

Generalities

Poids moléculaire

138.21 g/mol

Parameters table

Parameters table
Value name Value Temperature Pressure Granulometry Humidity Guideline ineris method Commentary Source
Hydrosolubilité 14500 mg.L-1
à 25°C
UNEP (2005) p.31
Densité 0.9215 - UNEP (2005) p.31
Pression de vapeur 40 Pa
à 20°C
UNEP (2005) p.31
Point de fusion -8.1 °C UNEP (2005) p.31
Constante de Henry 0.38 Pa.m3.mol-1
calculée
UNEP (2005) p.31
Coefficient de partage octanol/eau (Log Kow) 1.67 -
mesuré
UNEP (2005) p.31
Coefficient de partage octanol/eau (Log Kow) 1.7 - Expérimentation EPA
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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 7.7 L.kg-1
calculé à partir du Koc (TGD)
UNEP (2005) p.31
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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 3.9 L.kg-1
calculé à partir du Koc (TGD)
UNEP (2005) p.31
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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) 77 L.kg-1
calculé
UNEP (2005) p.31
Coefficient de partage eau/sol 1.5 L.kg-1
calculé à partir du Koc (TGD)
UNEP (2005) p.31
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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 0.67 jour
estimée
UNEP (2005) p.31
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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 1.99986187 - Expérimentation EPA
Bioaccumulation BCF 10 -
Cyprinus carpio - poisson - valeur mesurée
UNEP (2005) p.31
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Accidental values

Other accidental thresholds

Other accidental thresholds
ineris name Duration Value Source Status state Commentary
IDLH 30 min 200 ppm NIOSH (1994) Final
PAC-1 60 min 12 ppm EHSS (2018) Final
REL-TWA x 3, TEEL-3/6, IDLH (1994)
PAC-2 60 min 33 ppm EHSS (2018) Final
REL-TWA x 3, TEEL-3/6, IDLH (1994)
PAC-3 60 min 200 ppm EHSS (2018) Final
REL-TWA x 3, TEEL-3/6, IDLH (1994)
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Regulatory values

Valeurs réglementaires
ineris name Value Source Commentary Critical effect retained Status state Duration of exposure Environment Exposure source Factor Management context Age-Dependent Adjustments Factors ADAF - Age range ADAF - Value ADAF - URL
VLEP CT 5 ppm INRS (2024)
Valeur limite admise (circulaire)
Final Air Lieux de travail
VLEP CT 25 mg.m-3 INRS (2024)
Valeur limite admise (circulaire)
Final Air Lieux de travail
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Reference values

Other values of recognized organizations

Autres valeurs des organismes reconnus
ineris name Value Source Commentary Critical effect retained Status state Duration of exposure Environment Exposure source Factor Management context Age-Dependent Adjustments Factors ADAF - Age range ADAF - Value ADAF - URL
REL 2000 µg.m-3 OEHHA (2000) Developmental effects (reduced crown-rump length of female rat fetuses)hepatocytomegaly and coagulative necrosis of the liver in mice Final Air ambiant
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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 475 mg.L-1 Algue UNEP (2005) p.31
CL/CE50 120 mg.L-1 Invertebré UNEP (2005) p.31
CL/CE50 140 mg.L-1 Poisson UNEP (2005) p.31
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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 0.178 mg.L-1 Eau douce 50
extrapolation
Yes UNEP (2005) p.31
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