Registration Dossier
Registration Dossier
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EC number: 944-951-8 | CAS number: -
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- 1. SOFTWARE: EPIWIN
2. METHOD: MPBPWIN v1.43
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL:
- D-GLUCONAMIDE, N-(3-HYDROXYPROPYL) - CAS# 190445-18-2: HN(C(=O)C(O)C(O)C(O)C(O)CO)CCCO
- PROPANOL AMMONIUM SALT OF GLUCONATE: HN(H)(H)(OC(=O)C(O)C(O)C(O)C(O)CO)CCCO - Principles of method if other than guideline:
- MPBPWIN (v1.43): Adapted Stein and Brown Method
- GLP compliance:
- no
- Boiling pt.:
- 520.75 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- D-Gluconamide, N-(3-Hydroxypropyl)
- Boiling pt.:
- 613.58 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- not determinable because of methodological limitations
- Remarks:
- Propanol Ammonium Salt of Gluconate
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- May, 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point)
- Version / remarks:
- July 27, 1995
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- method according to Siwoloboff
- Specific details on test material used for the study:
- Test Item Name FiberHance BM Solution
C.A. Name D-Gluconic acid, δ -lactone, reaction products with propanolamine
CAS Number 2060570-71-8
Molecular Formula C9O7NH19
Molecular Weight 253
Batch/Lot Number SMSN-071916
Analysed Purity 49.71% w/w (Refer Certificate of Analysis in APPENDIX 2)
Supplied to JRF by Ashland Services B.V.
Date of Manufacture July 19, 2016
Date of Expiry July 19, 2017
Appearance/Colour Colorless, Odorless clear liquid
Other Characteristics pH: 5.2
Storage Condition As per the instruction received from the Sponsor on storage of the test item, the test item was stored:
Storage Temperature: Room temperature (20-25 °C)
Storage Container: In original container as supplied by the Sponsor
Storage Location: Test Item Control Office, JRF - Key result
- Boiling pt.:
- 375.15 K
- Atm. press.:
- 1 atm
- Decomposition:
- no
- Boiling pt.:
- > 100 - < 104 °C
- Atm. press.:
- 1 atm
- Decomposition:
- no
Referenceopen allclose all
Description of key information
Based on QSAR estimations, the boiling points of the two main constituents D-Gluconamide, N-(3-hydroxypropyl)- and propanol ammonium salt of gluconate are both > 500 °C. The boiling point of the 50% solution in water varies from 100 -104 °C.
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 500 °C
Additional information
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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.
