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Diss Factsheets
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EC number: 211-706-5 | CAS number: 688-74-4
- 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
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Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- Type of information:
- other: (Q)SAR on hydrolysis product n-butanol
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Data source
Reference
- Reference Type:
- other: estimation software
- Title:
- US EPA. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11. United States Environmental Protection Agency, Washington, DC, USA; AOPWIN™ Version 1.92 (2010)
- Author:
- U.S. Environmental Protection Agency 1200 Pennsylvania Ave., N.W. (Mail Code 7406M) Washington, DC 20460
- Year:
- 2 012
- Bibliographic source:
- http://www.epa.gov/oppt/exposure/pubs/episuite.htm
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs Chapter R.6 , May 2008
- Deviations:
- not applicable
- Principles of method if other than guideline:
- The phototransformation in air of the substance was calculated using the Atmospheric Oxidation Program (AOPWIN v.1.92 by US EPA), which estimates the rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals. The rate constants estimated by the program are then used to calculate atmospheric half-lives for organic compounds based upon average atmospheric concentrations of hydroxyl radicals and ozone.
Test material
- Reference substance name:
- Butan-1-ol
- EC Number:
- 200-751-6
- EC Name:
- Butan-1-ol
- Cas Number:
- 71-36-3
- Molecular formula:
- C4H10O
- IUPAC Name:
- butan-1-ol
Constituent 1
Study design
- Estimation method (if used):
- The phototransformation rates and half-lives were calculated using AOPWIN v1.92. The substance n-butanol falls in the applicability domain of the model.
- Light source:
- other: not applicable
- Details on light source:
- Calculated data
- Details on test conditions:
- Theoretical conditions applied to calculations:
- 25°C
- 12 hrs day
- 1.5 x 10^6 OH/cm3
Results and discussion
- Preliminary study:
- not applicable
- Test performance:
- not applicable
Dissipation half-life of parent compound
- Key result
- DT50:
- 1.55 h
- Test condition:
- calculated value
- Transformation products:
- not specified
- Results with reference substance:
- not applicable
Any other information on results incl. tables
Table 1. AOPWIN v.1.92 results for n-butanol
SMILES : OCCCC
CHEM : 1-Butanol
MOL FOR: C4 H10 O1
MOL WT : 74.12
------------------- SUMMARY (AOP v1.92): HYDROXYL RADICALS (25 deg C) --------
Hydrogen Abstraction = 6.7500 E-12 cm3/molecule-sec
Reaction with N, S and -OH = 0.1400 E-12 cm3/molecule-sec
Addition to Triple Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Olefinic Bonds = 0.0000 E-12 cm3/molecule-sec
Addition to Aromatic Rings = 0.0000 E-12 cm3/molecule-sec
Addition to Fused Rings = 0.0000 E-12 cm3/molecule-sec
OVERALL OH Rate Constant = 6.8900 E-12 cm3/molecule-sec
HALF-LIFE = 1.552 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 18.629 Hrs
------------------- SUMMARY (AOP v1.91): OZONE REACTION (25 deg C) -----------
****** NO OZONE REACTION ESTIMATION ******
(ONLY Olefins and Acetylenes are Estimated)
Experimental Database Structure Match:
Chem Name : 1-Butanol
CAS Number: 000071-36-3
Exper OH rate constant : 8.57 E-12 cm3/molecule-sec
Exper OH Reference: KWOK,ESC & ATKINSON,R (1994)
Exper Ozone rate constant: --- cm3/molecule-sec
Exper NO3 rate constant : --- cm3/molecule-sec
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- half-life of 1-butanol: 1.552 d (12-hr day; 1.5E6 OH/cm3)
- Executive summary:
The phototransformation in air was estimated by AOPWIN v1.92 (EPIWIN software).
The phototransformation rate is 6.89 x 10-12 cm3/molecule/sec. The calculated half-life is 1.552 d (12-hr day; 1.5 x 106 OH/cm3)
This value is below the trigger limit (2 days). Therefore, the substance is not considered to be persistent.
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.
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