Isophorone
Product identifier
- Product name: Isophorone
- CBnumber: CB7743348
- CAS: 78-59-1
- EINECS Number: 201-126-0
- Synonyms: Isophorone,3,5,5-trimethylcyclohex-2-en-1-one
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 wordWarning
Substance
- Product name: Isophorone
- Synonyms: Isophorone,3,5,5-trimethylcyclohex-2-en-1-one
- CAS: 78-59-1
- EC number: 201-126-0
- MF: C9H14O
- MW: 138.21
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
Nature of decomposition products not known. Combustible.
Vapors are heavier than air and may spread along floors. Forms explosive mixtures with air on intense heating.
Development of hazardous combustion gases or vapours possible in the event of fire.
Advice for firefighters
Stay in danger area only with self-contained breathing apparatus. Prevent skin contact by keeping a safe distance or by wearing suitable protective clothing.
Further information
Prevent fire extinguishing water from contaminating surface water or the ground water system.
NFPA 704
| HEALTH | 2 | Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury (e.g. diethyl ether, ammonium phosphate, iodine) | |
| FIRE | 2 | Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur and multiple finely divided suspended solids that do not require heating before ignition can occur. Flash point between 37.8 and 93.3 °C (100 and 200 °F). (e.g. diesel fuel, sulfur) | |
| REACT | 1 | Normally stable, but can become unstable at elevated temperatures and pressures (e.g. propene) | |
| SPEC. HAZ. |
Personal precautions, protective equipment and emergency procedures
Advice for non-emergency personnel: Do not breathe vapors, aerosols. Avoid substance contact. Ensure adequate ventilation. Evacuate the danger area, observe emergency procedures, consult an expert.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Cover drains. Collect, bind, and pump off spills. Observe possible material restrictions (see sections 7 and 10). Take up with liquid-absorbent material (e.g. Chemizorb? ). Dispose of properly. Clean up affected area.
Reference to other sections
For disposal see section 13.
Precautions for safe handling
Advice on safe handling
Work under hood. Do not inhale substance/mixture. Avoid generation of vapours/aerosols.
Hygiene measures
Immediately change contaminated clothing. Apply preventive skin protection. Wash hands and face after working with substance.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Storage conditions
Tightly closed.
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
Personal protective equipmentUse equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Safety glasses
This recommendation applies only to the product stated in the safety data sheet, supplied by us and for the designated use. When dissolving in or mixing with other substances and under conditions deviating from those stated in EN374 please contact the supplier of CE-approved gloves (e.g. KCL GmbH, D-36124 Eichenzell, Internet: www.kcl.de).
Full contact
Material: butyl-rubber
Minimum layer thickness: 0,7 mm Break through time: 480 min Material tested:Butoject? (KCL 898)
This recommendation applies only to the product stated in the safety data sheet, supplied by us and for the designated use. When dissolving in or mixing with other substances and under conditions deviating from those stated in EN374 please contact the supplier of CE-approved gloves (e.g. KCL GmbH, D-36124 Eichenzell, Internet: www.kcl.de).
Splash contact Material: Nitrile rubber
Minimum layer thickness: 0,4 mm Break through time: 120 min
Material tested:Camatril? (KCL 730 / Aldrich Z677442, Size M)
protective clothing
Recommended Filter type: Filter A (acc. to DIN 3181) for vapours of organic compounds
The entrepeneur has to ensure that maintenance, cleaning and testing of respiratory protective devices are carried out according to the instructions of the producer.
These measures have to be properly documented.
Do not let product enter drains.
Information on basic physicochemical properties
- Appearancelight yellow liquid, clear
- OdourNo data available
- Odour ThresholdNo data available
- pHNo data available
- Melting point/freezing pointMelting point/range: -8 °C - lit.
- Initial boiling point and boiling range213 - 214 °C - lit.
- Flash point96,0 °C - closed cup
- Evaporation rateNo data available
- Flammability (solid, gas)No data available
- Upper/lower flammability or explosive limits Upper explosion limit: 3,8 %(V) Lower explosion limit: 0,8 %(V)
- Vapour pressure 1,3 hPa at 38,0 °C 0,3 hPa at 20,0 °C
- Vapour density 4.77 (vs air)
- Relative densityNo data available
- Water solubility14,5 g/l - completely soluble
- Partition coefficient: n-octanol/waterlog Pow: 1,67 at 20 °C - Bioaccumulation is not expected.
- Autoignition temperature462,0 °C
- Decomposition temperatureNo data available
- ViscosityViscosity, kinematic: 2,83 mm2/s at 20 °C - OECD Test Guideline 114 Viscosity, dynamic: No data available
- Explosive propertiesNo data available
- Oxidizing propertiesNo data available
- Henry's Law Constant(x 10-6 atm?m3/mol): 5.8 (calculated, U.S. EPA, 1980a)
Other safety information
No data available
Reactivity
Forms explosive mixtures with air on intense heating.
A range from approx. 15 Kelvin below the flash point is to be rated as critical.
Chemical stability
The product is chemically stable under standard ambient conditions (room temperature) .
Possibility of hazardous reactions
Violent reactions possible with:
Oxidizing agents
Conditions to avoid
Strong heating.
Incompatible materials
No data available
Hazardous decomposition products
In the event of fire: see section 5
Information on toxicological effects
Acute toxicityRemarks:
(ECHA)
Symptoms: mucosal irritations, Cough, Shortness of breath, Possible damages:, damage of respiratory tract
LC50 Inhalation - Rat - male - 4 h - 7 mg/l Remarks:
(ECHA)
LD50 Dermal - Rabbit - male and female - 1.200 mg/kg Remarks:
(ECHA)
Result: No skin irritation - 4 h (OECD Test Guideline 404)
Result: Causes serious eye irritation. (Draize Test)
Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2)
Salmonella typhimurium Result: negative Remarks:
(National Toxicology Program)
In vitro mammalian cell gene mutation test mouse lymphoma cells
Result: Positive results were obtained in some in vitro tests. Remarks:
(ECHA)
Chromosome aberration test in vitro
Chinese hamster ovary cells Result: negative
Remarks:
(ECHA)
Chromosome aberration test in vitro Chinese hamster lung cells
Result: Positive results were obtained in some in vitro tests. Remarks:
(ECHA)
sister chromatid exchange assay Chinese hamster ovary cells Result: negative
Remarks:
(ECHA)
unscheduled DNA synthesis assay rat hepatocytes
Result: negative Remarks:
(ECHA)
Drosophila melanogaster (vinegar fly) - male Result: negative
Remarks:
(ECHA)
Mouse - male and female Result: negative Remarks:
(ECHA)
Result: negative Remarks:
(National Toxicology Program)
IARC: No ingredient of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC.
Classified according to Regulation (EU) 1272/2008, Annex VI (Table 3.1/3.2) Acute inhalation toxicity - mucosal irritations, Cough, Shortness of breath, Possible damages:, damage of respiratory tract
Toxicity
Remarks: (ECHA)
static test LC50 - Daphnia magna (Water flea) - 120 mg/l - 48 h (US-EPA)
Remarks: (ECHA)
Remarks: (External MSDS)
Persistence and degradability
Biodegradability aerobic - Exposure time 28 d
Result: 95 % - Readily biodegradable. (Directive 67/548/EEC Annex V, C.4.A.)
Bioaccumulative potential
Bioaccumulation Cyprinus carpio (Carp) - 42 Days
at 25 °C - 0,5 mg/l(isophorone)
Bioconcentration factor (BCF): 1,1 - 1,8 (OECD Test Guideline 305)
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
Discharge into the environment must be avoided.
Waste treatment methods
Product
See www.retrologistik.com for processes regarding the return of chemicals and containers, or contact us there if you have further questions.
Waste DisposalIncineration.
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
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
- ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
- CAS: Chemical Abstracts Service
- EC50: Effective Concentration 50%
- IATA: International Air Transportation Association
- IMDG: International Maritime Dangerous Goods
- LC50: Lethal Concentration 50%
- LD50: Lethal Dose 50%
- RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
- STEL: Short term exposure limit
- TWA: Time Weighted Average
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/
Other Information
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.