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Diss Factsheets
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EC number: 271-517-9 | CAS number: 68583-52-8
- 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
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Study period:
- November 21, 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Calaculated value from an acceptable method.
- Principles of method if other than guideline:
- Value calculated by an acceptable method.
- GLP compliance:
- no
- Type of method:
- other: Calculated value
- Temp.:
- 25 °C
- Vapour pressure:
- 0.137 Pa
- Remarks on result:
- other: Calculated value
- Remarks:
- Modified Grain Method
Reference
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match: no data
SMILES : CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC
CHEM : Decanoic acid, mixed diesters with octanoic acid and triethylene glyc
ol
MOL FOR: C24 H46 O6
MOL WT : 430.63
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 440.52 deg C (Adapted Stein and Brown Method)
Melting Point: 86.20 deg C (Adapted Joback Method)
Melting Point: 143.56 deg C (Gold and Ogle Method)
Mean Melt Pt : 114.88 deg C (Joback; Gold,Ogle Methods)
Selected MP: 95.76 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 312.00 deg C (user entered))
(MP not used for liquids)
VP: 0.000726 mm Hg (Antoine Method)
: 0.0968 Pa (Antoine Method)
VP: 0.00103 mm Hg (Modified Grain Method)
: 0.137 Pa (Modified Grain Method)
VP: 0.00197 mm Hg (Mackay Method)
: 0.263 Pa (Mackay Method)
Selected VP: 0.00103 mm Hg (Modified Grain Method)
: 0.137 Pa (Modified Grain Method)
-------+-----+--------------------+----------+---------
TYPE | NUM | BOIL DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 2 | -CH3 | 21.98 | 43.96
Group | 20 | -CH2- | 24.22 | 484.40
Group | 2 | -O- (nonring) | 25.16 | 50.32
Group | 2 | -COO- (ester) | 78.85 | 157.70
Corr | 1 | Diester-type | -35.00 | -35.00
* | | Equation Constant | | 198.18
=============+====================+==========+=========
RESULT-uncorr| BOILING POINT in deg Kelvin | 899.56
RESULT- corr | BOILING POINT in deg Kelvin | 713.68
| BOILING POINT in deg C | 440.52
-------------------------------------------------------
-------+-----+--------------------+----------+---------
TYPE | NUM | MELT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------+----------+---------
Group | 2 | -CH3 | -5.10 | -10.20
Group | 20 | -CH2- | 11.27 | 225.40
Group | 2 | -O- (nonring) | 22.23 | 44.46
Group | 2 | -COO- (ester) | 53.60 | 107.20
Corr | 1 | Diester-type | -130.00 | -130.00
* | | Equation Constant | | 122.50
=============+====================+==========+=========
RESULT | MELTING POINT in deg Kelvin | 359.36
| MELTING POINT in deg C | 86.20
-------------------------------------------------------
Description of key information
Vapor pressure data are available for two read-across chemicals. These chemicals are included in the Glycol Esters Category submitted by the American Chemistry Council for the U.S. Environmental Protection Agency as a contribution to the U.S. EPA High Production Volume Chemical Program. All members of this category have similar molecular structure and functional groups. The functional groups in common are aliphatic ester groups and glycol ether groups. The glycol ether groups, joined together in one to four units, are end-capped with aliphatic acids via ester groups. The selected read-across chemicals most closely matches in structure the subject registration substance. The low vapor pressure of the read-across chemical is consistent with its high boiling point.
The MPBPWIN module (v1.43) of the U.S. EPA EpiSuite program (Copyright 2000 -2012) was used to calculate a vapor pressure for the subject chemical. The value obtained bu this method was 0.137 Pa (Modified Grain Method) and is consistent with the values for the other similar read-across chemical.
Key value for chemical safety assessment
- Vapour pressure:
- 0.137 Pa
- at the temperature of:
- 25 °C
Additional information
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.