Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 272-211-8 | CAS number: 68783-88-0 Complex combination obtained by steam distillation of soybean oil followed by condensation of the steam. Contains fatty acids, sterols, aldehydes and ketones.
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption
- Remarks:
- other: Not applicable
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- weight of evidence
- Study period:
- Not applicable
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Estimation according to KOCWIN v2.00 of EPIWIN
- Justification for data waiving:
- other:
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- other: software
- Title:
- Unnamed
- Year:
- 2 011
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Principles of method if other than guideline:
- Using the MCI (Molecular Connectivity Index) approach of KOCWIN v2.00 program of EPIWEB v 4.1, the values of the Koc were calculated for the major components i.e., fatty acids, glycerides and unsaponifiable matter.
- Type of method:
- other: Estimated by KOCWIN v2.00 (EPIWEB v 4.1)
- Media:
- other: Not applicable
Test material
- Reference substance name:
- Soybean oil, deodorizer distillate
- EC Number:
- 272-211-8
- EC Name:
- Soybean oil, deodorizer distillate
- Cas Number:
- 68783-88-0
- Molecular formula:
- No generic molecular formula is available
- IUPAC Name:
- Not available for UVCB
- Reference substance name:
- 'Soybean oil, deodorizer distillates'
- IUPAC Name:
- 'Soybean oil, deodorizer distillates'
- Details on test material:
- - Name of test material: 'Soybean oil, deodorizer distillates' (CAS N° 68783-88-0, EC N° 272-211-8); under the SDA nomenclature, the name of this substance is ‘Soybean oil, deodorizer distillate'
- Composition:
A.Glycerides for C18 chain length i.e. tristerain or glycerol tristearate
B. Fatty acid: Stearic
C. Unsaponifiable matters:
(a) Total Tocopherols: (i) alpha-tocopherol (ii) beta-tocopherol (iii) gamma-tocopherol (iv) delta-tocopherol
(b) Total sterols: (i) Cholesterol (ii) Brassicasterol (iii) Campesterol (iv) Stigmasterol (v) β-Sitosterol
(c) Squalene
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not applicable
Study design
- Test temperature:
- Not applicable
HPLC method
- Details on study design: HPLC method:
- Not applicable
Batch equilibrium or other method
- Details on sampling:
- Not applicable
- Details on matrix:
- Not applicable
- Details on test conditions:
- Not applicable
- Computational methods:
- Using the MCI (Molecular Connectivity Index) approach of KOCWIN v2.00 program of EPIWEB v 4.1, the values of the Koc were calculated for the major components of the test substance i.e. glycerides, free fatty acids and unsaponifiable matter.
The highest chain length of glycerides and fatty acids, i.e. tristerain and stearic acid were considered to reflect the worst case scenarios of these components.
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- 10 000 000 000
- Remarks on result:
- other: L/kg: for Glycerides for C18 chain length i.e. tristerain or glycerol tristearate
- Type:
- log Koc
- Value:
- 14.181
- Remarks on result:
- other: For Glycerides for C18 chain length i.e. tristerain or glycerol tristearate
- Type:
- Koc
- Value:
- 11 700
- Remarks on result:
- other: L/kg: for fatty acid: Stearic acid
- Type:
- log Koc
- Value:
- 4.068
- Remarks on result:
- other: For fatty acid: Stearic acid
- Type:
- Koc
- Value:
- 9 049 000 - 25 250 000
- Remarks on result:
- other: L/kg: for Unsaponifiable matters: Total Tocopherols
- Type:
- log Koc
- Value:
- 6.957 - 7.402
- Remarks on result:
- other: For Unsaponifiable matters: Total Tocopherols
- Type:
- Koc
- Value:
- 1 553 000 - 4 848 000
- Remarks on result:
- other: L/kg: for Unsaponifiable matters: Total sterols
- Type:
- log Koc
- Value:
- 6.191 - 6.686
- Remarks on result:
- other: For Unsaponifiable matters: Total sterols
- Type:
- Koc
- Value:
- 100 700 000
- Remarks on result:
- other: L/kg: for Unsaponifiable matters: Squalene
- Type:
- log Koc
- Value:
- 8.003
- Remarks on result:
- other: For Unsaponifiable matters: Squalene
Results: HPLC method
- Details on results (HPLC method):
- None
Results: Batch equilibrium or other method
- Adsorption and desorption constants:
- The estimated Koc for 'soybean oil, deodorizer distillates' using MCI approach of KOCWIN v2.00 program (EPIWEB v 4.1) was found to be in the range 0.00117 x 107 to 1 x 1010 L/kg; (log Koc ranging from 4.068 to 14.181).
- Recovery of test material:
- Not applicable
- Concentration of test substance at end of adsorption equilibration period:
- Not applicable
- Concentration of test substance at end of desorption equilibration period:
- Not applicable
- Details on results (Batch equilibrium method):
- Not applicable
- Statistics:
- Not applicable
Any other information on results incl. tables
A) Glycerides: For C18 chain length i.e. tristerain or glycerol tristearate
Koc Estimate from MCI:
First Order Molecular Connectivity Index : 31.028
Non-Corrected log Koc (0.5213 MCI + 0.60) : 16.7745
Fragment Correction(s):
Ester (-C-CO-O-C-) or (HCO-O-C) : -2.5939
Corrected log Koc : 14.1806
Estimated Koc: 1e+010 L/kg
(B) Fatty acids: For C18 chain length i.e. stearic acid
First Order Molecular Connectivity Index: 9.770
Non-Corrected log Koc (0.5213 MCI + 0.60): 5.6929
Fragment Correction(s):
Organic Acid (-CO-OH) : -1.6249
Koc Estimate from MCI:
Corrected log Koc : 4.0681
Estimated Koc: 1.17e+004 L/kg
(C) Unsaponifiable matter:
(I). Total tocopherols:
(1) α-Tocopherol:
First Order Molecular Connectivity Index : 14.537
Non-Corrected log Koc (0.5213 MCI + 0.60): 8.1780
Fragment Correction(s):
Ether, aromatic (-C-O-C-) ........... : -0.6791
Aromatic Hydroxy (aromatic-OH) ....... : -0.0966
Koc Estimate from MCI:
Corrected log Koc: 7.4023
Estimated Koc: 2.525e+007 L/kg
(2) β-Tocopherol
Koc Estimate from MCI:
First Order Molecular Connectivity Index: 14.110
Non-Corrected log Koc (0.5213 MCI + 0.60): 7.9552
Fragment Correction(s):
Ether, aromatic (-C-O-C-): -0.6791
Aromatic Hydroxy (aromatic-OH) : -0.0966
Corrected log Koc : 7.1795
Estimated Koc: 1.512e+007 L/kg
(3) γ-Tocopherol
Koc Estimate from MCI:
First Order Molecular Connectivity Index : 14.110
Non-Corrected log Koc (0.5213 MCI + 0.60) : 7.9552
Fragment Correction(s):
Ether, aromatic (-C-O-C-): -0.6791
Aromatic Hydroxy (aromatic-OH): -0.0966
Corrected log Koc: 7.1795
(4) δ-Tocopherol
Koc Estimate from MCI:
First Order Molecular Connectivity Index: 13.682
Non-Corrected log Koc (0.5213 MCI + 060): 7.7323
Fragment Correction(s):
Ether, aromatic (-C-O-C-): -0.6791
Aromatic Hydroxy (aromatic-OH) : -0.0966
Corrected log Koc: 6.9566
Estimated Koc: 9.049e+006 L/kg
(Ii). Total sterols:
(1) Cholesterol
Koc Estimate from MCI:
First Order Molecular Connectivity Index: 13.254
Non-Corrected log Koc (0.5213 MCI + 0.60): 7.5089
Fragment Correction(s):
Aliphatic Alcohol (-C-OH): -1.3179
Corrected log Koc: 6.1910
Estimated Koc: 1.553e+006 L/kg
(2) Brassicasterol
Koc Estimate from MCI:
First Order Molecular Connectivity Index: 13.664
Non-Corrected log Koc (0.5213 MCI + 0.60): 7.7230
Fragment Correction(s):
Aliphatic Alcohol (-C-OH): -1.3179
Corrected log Koc: 6.4051
Estimated Koc: 2.542e+006 L/kg
(3) Campesterol
Koc Estimate from MCI:
First Order Molecular Connectivity Index: 13.664
Non-Corrected log Koc (0.5213 MCI + 0.60) : 7.7230
Fragment Correction(s):
Aliphatic Alcohol (-C-OH): -1.3179
Corrected log Koc: 6.4051
Estimated Koc: 2.542e+006 L/kg
(4) Stigmasterol
Koc Estimate from MCI:
First Order Molecular Connectivity Index: 14.202
Non-Corrected log Koc (0.5213 MCI + 0.60): 8.0035
Fragment Correction(s):
Aliphatic Alcohol (-C-OH): -1.3179
Corrected log Koc : 6.6856
Estimated Koc: 4.848e+006 L/kg
(5) β-Sitosterol
Koc Estimate from MCI:
First Order Molecular Connectivity Index: 14.202
Non-Corrected log Koc (0.5213 MCI + 0.60): 8.0035
Fragment Correction(s):
Aliphatic Alcohol (-C-OH): -1.3179
Corrected log Koc : 6.6856
Estimated Koc: 4.848e+006 L/kg
(iii) Squalene:
Koc Estimate from MCI:
Order Molecular Connectivity Index: 14.201
Non-Corrected log Koc (0.5213 MCI + 0.60): 8.0029
Fragment Correction(s) --> NONE
Corrected log Koc: 8.0029
Estimated Koc: 1.007e+008 L/kg
Applicant's summary and conclusion
- Conclusions:
- The estimated Koc for 'Soybean oil, deodorizer distillates' using MCI approach of KOCWIN v2.00 program (EPIWEB v 4.1) was found to be in the range 0.00117 x 107 to 1 x 1010 L/kg; (log Koc ranging from 4.068 to 14.181).
- Executive summary:
By using the MCI (Molecular Connectivity Index) approach of KOCWIN v2.00 program of EPIWEB v 4.1, the values of the Koc were calculated for the major components i.e. fatty acids, glycerides and unsaponifiable matter. The estimation by this method, may be little less accurate as the molecular weight range for the different chain lengths of fatty acids are outside the molecular weight range of the training set compounds.
The estimated Koc for 'Soybean oil, deodorizer distillates' using MCI approach of KOCWIN v2.00 program (EPIWEB v 4.1) was found to be in the range 0.00117 x 107 to 1 x 1010 L/kg; (log Koc ranging from 4.068 to 14.181).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.