7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-HYDROXY-4-(4-IODOPHENOXY)-1-BUTENYL]-7-OXABICYCLO[2.2.1]HEPT-2-YL]-5Z-HEPTENOIC ACID
Product identifier
- Product name: 7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-HYDROXY-4-(4-IODOPHENOXY)-1-BUTENYL]-7-OXABICYCLO[2.2.1]HEPT-2-YL]-5Z-HEPTENOIC ACID
- CBnumber: CB7674385
- CAS: 128719-90-4
- EINECS Number: 200-578-6
- Synonyms: I-BOP
Relevant identified uses of the substance or mixture and uses advised against
- Relevant identified uses: For R&D use only. Not for medicinal, household or other use.
- Uses advised against: none
Company Identification
- Company: Chemicalbook
- Address: Building 1, Huihuang International, Shangdi 10th Street, Haidian District, Beijing
- Telephone: 400-158-6606
GHS Label elements, including precautionary statements
-
Symbol(GHS)
- Signal wordDanger
Substance
- Product name: 7-[(1S,2R,3R,4R)-3-[(1E,3R)-3-HYDROXY-4-(4-IODOPHENOXY)-1-BUTENYL]-7-OXABICYCLO[2.2.1]HEPT-2-YL]-5Z-HEPTENOIC ACID
- Synonyms: I-BOP
- CAS: 128719-90-4
- EC number: 200-578-6
- MF: C23H29IO5
- MW: 512.38
Description of first aid measures
General adviceMost important symptoms and effects, both acute and delayed
Indication of any immediate medical attention and special treatment needed
Extinguishing media
Suitable extinguishing mediaSpecial hazards arising from the substance or mixture
Carbon oxides, Hydrogen iodide
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
Use water spray to cool unopened containers.
NFPA 704
| HEALTH | 0 | Poses no health hazard, no precautions necessary and would offer no hazard beyond that of ordinary combustible materials | |
| FIRE | 3 | Liquids and solids (including finely divided suspended solids) that can be ignited under almost all ambient temperature conditions . Liquids having a flash point below 22.8 °C (73 °F) and having a boiling point at or above 37.8 °C (100 °F) or having a flash point between 22.8 and 37.8 °C (73 and 100 °F). (e.g. gasoline, acetone) | |
| REACT | 0 | Normally stable, even under fire exposure conditions, and is not reactive with water (e.g. helium,N2) | |
| SPEC. HAZ. |
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with non-combustible absorbent material, (e.g. sand, earth, diatomaceous earth, vermiculite) and place in container for disposal according to local / national regulations (see section 13).
Reference to other sections
For disposal see section 13.
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapor or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic charge.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Store in cool place.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated
control parameter
Hazard composition and occupational exposure limitsExposure controls
Appropriate engineering controlsHandle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.
Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.
The selected protective gloves have to satisfy the specifications of Regulation (EU) 2016/425 and the standard EN 374 derived from it.
Impervious clothing, Flame retardant antistatic protective clothing., The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Where risk assessment shows air-purifying respirators are appropriate use a full- face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Information on basic physicochemical properties
- Appearancecolorless liquid, clear
- OdourNo data available
- Odour ThresholdNo data available
- pHNo data available
- Melting point/freezing point -144,0 °C
- Initial boiling point and boiling range78,0 - 80,0 °C
- Flash point14,0 °C - closed cup
- Evaporation rateNo data available
- Flammability (solid, gas)No data available
- Upper/lower flammability or explosive limits Upper explosion limit: 19 %(V) Lower explosion limit: 3,3 %(V)
- Vapour pressure 59,5 hPa at 20,0 °C
- Vapour density No data available
- Relative density0,7974 g/cm3
- Water solubilitycompletely soluble
- Partition coefficient: n-octanol/waterNo data available
- Autoignition temperature 363,0 °C
- Decomposition temperatureNo data available
- ViscosityNo data available
- Explosive propertiesNo data available
- Oxidizing propertiesNo data available
Other safety information
No data available
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Alkali metals, Ammonia, Oxidizing agents, Peroxides
Hazardous decomposition products
Hazardous decomposition products formed under fire conditions. - Carbon oxides, Hydrogen iodide
In the event of fire: see section 5
Information on toxicological effects
Acute toxicityLD50 Oral - Rat - male and female - 10.470 mg/kg (ethanol) (OECD Test Guideline 401)
LC50 Inhalation - Rat - male and female - 4 h - 124,7 mg/l (ethanol) (OECD Test Guideline 403)
Skin - Rabbit (ethanol)
Result: No skin irritation - 24 h (OECD Test Guideline 404)
Eyes - Rabbit (ethanol)
Result: Causes serious eye irritation. (OECD Test Guideline 405)
Maximization Test - Guinea pig (ethanol)
Result: negative
(OECD Test Guideline 406)
Remarks: (in analogy to similar products)
Salmonella typhimurium Result: negative
In vitro mammalian cell gene mutation test (ethanol) mouse lymphoma cells
Result: negative
OECD Test Guideline 478 (ethanol) Mouse - male
Result: Positive results were obtained in some in vivo tests.
RTECS: Not available
irritant effects, respiratory paralysis, Dizziness, narcosis, inebriation, euphoria, Nausea, Vomiting (ethanol)
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. (ethanol)
Toxicity
No data available
15.300 mg/l - 96 h (ethanol) (US-EPA)
static test LC50 - Ceriodaphnia dubia (water flea) - 5.012 mg/l - 48 h (ethanol)
Remarks: (ECHA)
- 72 h (ethanol)
(OECD Test Guideline 201)
Persistence and degradability
No data available
Biochemical Oxygen Demand (BOD)
Theoretical oxygen demand
930 - 1.670 mg/g (ethanol) Remarks: (Lit.)
2.100 mg/g (ethanol) Remarks: (Lit.)
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available
Additional ecological information
No data available
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Waste material must be disposed of in accordance with the Directive on waste 2008/98/EC as well as other national and local regulations. Leave chemicals in original containers. No mixing with other waste. Handle uncleaned containers like the product itself.
Contaminated packaging
Dispose of as unused product.
UN number
ADR/RID: 1170 IMDG: 1170 IATA: 1170
UN proper shipping name
| | ADR/RID: ETHANOL SOLUTION IMDG: ETHANOL SOLUTION | |
| IATA: Ethanol solution | ||
| 14.3 | Transport hazard class(es) ADR/RID: 3 IMDG: 3 | IATA: 3 |
| 14.4 | Packaging group ADR/RID: II IMDG: II | IATA: II |
| 14.5 | Environmental hazards ADR/RID: no IMDG Marine pollutant: no | IATA: no |
| 14.6 | Special precautions for user No data available | |
Safety, health and environmental regulations/legislation specific for the substance or mixture
Regulations on the Safety Management of Hazardous ChemicalsAbbreviations and acronyms
- CAS: Chemical Abstracts Service
- ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
- RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
- IMDG: International Maritime Dangerous Goods
- IATA: International Air Transportation Association
- TWA: Time Weighted Average
- STEL: Short term exposure limit
- LC50: Lethal Concentration 50%
- LD50: Lethal Dose 50%
- EC50: Effective Concentration 50%
References
【1】CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
【2】ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
【3】ECHA - European Chemicals Agency, website: https://echa.europa.eu/
【4】eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
【5】ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
【6】Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
【7】HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
【8】IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
【9】IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
【10】Sigma-Aldrich, website: https://www.sigmaaldrich.com/
The information in this MSDS is only applicable to the specified product, unless otherwise specified, it is not applicable to the mixture of this product and other substances. This MSDS only provides information on the safety of the product for those who have received the appropriate professional training for the user of the product. Users of this MSDS must make independent judgments on the applicability of this SDS. The authors of this MSDS will not be held responsible for any harm caused by the use of this MSDS.