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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 267-466-7 | CAS number: 67874-37-7
- 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
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- It is not possible to measure the partition coefficient of this substance using standard methods. A calcuation method, using an accepted model, was used instead.
Data source
Reference
- Reference Type:
- other: Modelled Data
- Title:
- EPISUITE v4.1 Results for Phenyl Diisotridecyl Phosphite
- Author:
- U.S. EPA
- Year:
- 2 018
- Bibliographic source:
- U.S. EPA EPISUITE
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Modelled data using acceptable model.
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Diisotridecyl phenyl phosphite
- EC Number:
- 267-466-7
- EC Name:
- Diisotridecyl phenyl phosphite
- Cas Number:
- 67874-37-7
- Molecular formula:
- C32H59O3P
- IUPAC Name:
- diisotridecyl phenyl phosphite
- Test material form:
- liquid
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 13.36
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- not measured/tested
Any other information on results incl. tables
KOWWIN Program (v1.68) Results:
===============================
Log Kow(version 1.68 estimate): 13.36
SMILES : CC(CCCCCCCCCCOP(Oc1ccccc1)OCCCCCCCCCCC(C)C)C
CHEM : Diisotridecyl phenyl phosphite
MOL FOR: C32 H59 O3 P1
MOL WT : 522.80
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 4 | -CH3 [aliphatic carbon] | 0.5473 | 2.1892
Frag | 20 | -CH2- [aliphatic carbon] | 0.4911 | 9.8220
Frag | 2 | -CH [aliphatic carbon] | 0.3614 | 0.7228
Frag | 6 | Aromatic Carbon | 0.2940 | 1.7640
Frag | 1 | -O-P [aromatic attach] | 0.5345 | 0.5345
Frag | 1 | >P- [phosphine type] |-0.5000 | -0.5000
Frag | 2 | -O-P [phosphine phosphorus attach] |-0.7000 | -1.4000
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 13.3615
MPBPVP (v1.43) Program Results:
===============================
Experimental Database Structure Match: no data
SMILES : CC(CCCCCCCCCCOP(Oc1ccccc1)OCCCCCCCCCCC(C)C)C
CHEM : Diisotridecyl phenyl phosphite
MOL FOR: C32 H59 O3 P1
MOL WT : 522.80
------------------------ SUMMARY MPBVP v1.43 --------------------
Boiling Point: 530.25 deg C (Adapted Stein and Brown Method)
Melting Point: 253.98 deg C (Adapted Joback Method)
Melting Point: 195.95 deg C (Gold and Ogle Method)
Mean Melt Pt : 224.97 deg C (Joback; Gold,Ogle Methods)
Selected MP: 207.56 deg C (Weighted Value)
Vapor Pressure Estimations (25 deg C):
(Using BP: 530.25 deg C (estimated))
(Using MP: 207.56 deg C (estimated))
VP: 2.54E-013 mm Hg (Antoine Method)
: 3.39E-011 Pa (Antoine Method)
VP: 5.42E-011 mm Hg (Modified Grain Method)
: 7.23E-009 Pa (Modified Grain Method)
VP: 1.56E-010 mm Hg (Mackay Method)
: 2.07E-008 Pa (Mackay Method)
Selected VP: 5.42E-011 mm Hg (Modified Grain Method)
: 7.23E-009 Pa (Modified Grain Method)
H3C
O
P
O
O
H3C
CH3
CH3
1
Applicant's summary and conclusion
- Conclusions:
- The log Kow was calculated to be 13.36 using the KOWWIN v. 1.68 model in EPISUITE 4.1.
- Executive summary:
The log Kow was calculated to be 13.36 using the KOWWIN v. 1.68 model in EPISUITE 4.1.
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.