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Diss Factsheets
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EC number: 203-537-0 | CAS number: 107-96-0
- 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
Henry's Law constant
Administrative data
- Endpoint:
- Henry's law constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
Data source
Reference
- Reference Type:
- other: IUCLID 4 data set entry
- Title:
- No information
- Author:
- USEPA
- Year:
- 2 007
- Bibliographic source:
- Estimations Programs Interface (EPI) Suite®, version 3.20.
Materials and methods
- Principles of method if other than guideline:
- MIGRATED DATA SET. Method: other (calculated)
- GLP compliance:
- no
Test material
- Reference substance name:
- 3-mercaptopropionic acid
- EC Number:
- 203-537-0
- EC Name:
- 3-mercaptopropionic acid
- Cas Number:
- 107-96-0
- Molecular formula:
- C3H6O2S
- IUPAC Name:
- 3-sulfanylpropanoic acid
- Details on test material:
- MIGRATED DATA SET. IUCLID4 Test substance: as prescribed by 1.1 - 1.4
Constituent 1
Results and discussion
Henry's Law constant H
- H:
- 2.6 other: 10E-8 atm m³/mol
- Temp.:
- 25 °C
Any other information on results incl. tables
overall result of calculation: 2.6E-08 atm-m3/mole at 25 °C, equal to 2.634E-6 kPa-m3/mole at 25 °C
HENRY (v3.10) Program Results:
=============================
Bond Est : 2.58E-008 atm-m3/mole
Group Est: 2.87E-009 atm-m3/mole
----------+---------------------------------------------+--------+----------
CLASS | BOND CONTRIBUTION DESCRIPTION |COMMENT | VALUE
----------+---------------------------------------------+--------+----------
HYDROGEN | 4 Hydrogen to Carbon (aliphatic) Bonds | | -0.4787
HYDROGEN | 1 Hydrogen to Oxygen Bonds | | 3.2318
HYDROGEN | 1 Hydrogen to Sulfur Bonds | | 0.2247
FRAGMENT | 1 C-C | | 0.1163
FRAGMENT | 1 C-CO | | 1.7057
FRAGMENT | 1 C-S | | 1.1056
FRAGMENT | 1 CO-O | | 0.0714
----------+---------------------------------------------+--------+----------
RESULT | BOND ESTIMATION METHOD for LWAPC VALUE | TOTAL | 5.977
----------+---------------------------------------------+--------+----------
HENRYs LAW CONSTANT at 25 deg C = 2.58E-008 atm-m3/mole = 1.05E-006 unitless
--------+-----------------------------------------------+-----------+--------
| GROUP CONTRIBUTION DESCRIPTION | COMMENT | VALUE
--------+-----------------------------------------------+-----------+--------
| 1 CH2 (C)(CO) | | -0.15
| 1 CH2 (C)(S)
| | -0.02
| 1 CO (C)(O)
| | 4.09
| 1 O-H (CO)
| | 1.45
| 1 S-H (C)
| | 1.56
--------+-----------------------------------------------+-----------+--------
RESULT | GROUP ESTIMATION METHOD for LOG GAMMA VALUE | TOTAL | 6.93
--------+-----------------------------------------------+-----------+--------
HENRYs LAW CONSTANT at 25 deg C = 2.87E-009 atm-m3/mole = 1.17E-007 unitless
Henrys LC [VP/WSol estimate using EPI values]:
HLC: 1.087E-005 atm-m3/mole
VP: 0.047 mm Hg
WS: 604 mg/L
Applicant's summary and conclusion
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.