Substance Identity
CAS Number 31906-04-4
Chemical Name 3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-
Type of substance Organic
SMILES O=CC(CCC(=C1)CCCC(O)(C)C)C1
Moiety of concern organic
Categorization Results

Meets Government of Canada Categorization Criteria? No
Meets Human Health Categorization Criteria? No
Meets Environmental Criteria for Categorization? No
Persistent (P)? No
Rational for P QSAR
Bioaccumulative (B)? No
Rational for B QSAR
Inherently Toxic to Aquatic Organisms (iT)? No
Rational for iT QSAR
DSL Quantity range (tonnes/year) >1T to 1000T

Ecological data supporting decisions

Underlying data regarding persistence

Media of concern leading to Categorization Water-Soil
Experimental Biodegradation half-life (days) Not Available
Experimental Biodegradation result (%) 66
Reference (biodegradation result) CHEMICALS INSPECTION AND TESTING INSTITUTE.; BIODEGRADATION AND BIOACCUMULATION DATA OF EXISTING CHEMICALS BASED ON THE CSCL JAPAN.; JAPAN CHEMICAL INDUSTRY ECOLOGY - TOXICOLOGY AND INFORMATION CENTER.ISBN 4-89074-101-1.; 1992
Robust Study Summary (biodegradation result)
MITI book - P data.doc
Predicted Ultimate degradation half-life (days) 37.5
MITI probability of biodegradation 0.8224
TOPKAT probability of biodegradation 0.991
EPI Predicted Ozone reaction half-life (days) 0.02665
EPI Predicted Atmospheric Oxidation half-life (days) 0.08407

Underlying data regarding Bioaccumulation

Log Kow predicted by KowWin 3.32
Log BAF T2MTL predicted by Gobas 2.14028749131842
Log BCF 5% T2LTL predicted by Gobas 2.03077772140221
Log BCF Max predicted by OASIS 2.67525676046972
Log BCF predicted by BCFWIN 1.853

Underlying data regarding inherent toxicity to aquatic organisms

Pivotal value for iT (mg/l) 1.61324
Toxicity to fish (LC50 in mg/l) as predicted by Aster 35.38943
Toxicity to fish (LC50 in mg/l) as predicted by PNN 1.61324
Toxicity to fish, daphnia, algae or mysid shrimp (EC50 or LC50 in mg/l) as predicted by Ecosar v0.99g 7.091
Toxicity to fish (LC50 in mg/l) as predicted by Neutral Organics QSAR in Ecosar v0.99g 8.96E-002

Human Health data supporting decisions
Underlying data regarding potential for exposure

LPE/IPE/GPE Lowest Potential for Exposure (HC Simple Exposure Tool)

Underlying data regarding Previous Assessments

Underlying data regarding Simple Hazard Assessment


Underlying data regarding Complex Hazard Assessment