4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one SDS
SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifier
- Product name： 4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one
- CAS： 127-41-3
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.in
- Address：5 vasavi Layout Basaveswara Nilayam Pragathi Nagar Hyderabad, India -500090
- Telephone：+91 9550333722
SECTION 2: Hazards identification
Classification of the substance or mixture
Not classified.
GHS label elements, including precautionary statements
- Signal word No signal word
none
none
none
none
none
Other hazards which do not result in classification
no data available
SECTION 3: Composition/information on ingredients
Substance
- Chemical name: 4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one
- Common names and synonyms: 4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one
- CAS number: 127-41-3
- EC number: 204-841-6
- Concentration: 100%
SECTION 4: First aid measures
Description of necessary first-aid measures
Move the victim into fresh air. If breathing is difficult, give oxygen. If not breathing, give artificial respiration and consult a doctor immediately. Do not use mouth to mouth resuscitation if the victim ingested or inhaled the chemical.
Take off contaminated clothing immediately. Wash off with soap and plenty of water. Consult a doctor.
Rinse with pure water for at least 15 minutes. Consult a doctor.
Rinse mouth with water. Do not induce vomiting. Never give anything by mouth to an unconscious person. Call a doctor or Poison Control Center immediately.
Most important symptoms/effects, acute and delayed
no data available
Indication of immediate medical attention and special treatment needed, if necessary
Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. Poisons A and B
SECTION 5: Firefighting measures
Suitable extinguishing media
Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Specific hazards arising from the chemical
no data available
Special protective actions for fire-fighters
Wear self-contained breathing apparatus for firefighting if necessary.
SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing mist, gas or vapours.Avoid contacting with skin and eye. Use personal protective equipment.Wear chemical impermeable gloves. Ensure adequate ventilation.Remove all sources of ignition. Evacuate personnel to safe areas.Keep people away from and upwind of spill/leak.
Environmental precautions
Prevent further spillage or leakage if it is safe to do so. Do not let the chemical enter drains. Discharge into the environment must be avoided.
Methods and materials for containment and cleaning up
ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas.; Environmental precautions: Do not let product enter drains.; Methods and materials for containment and cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.
SECTION 7: Handling and storage
Precautions for safe handling
Handling in a well ventilated place. Wear suitable protective clothing. Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Use non-sparking tools. Prevent fire caused by electrostatic discharge steam.
Conditions for safe storage, including any incompatibilities
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. Light sensitive.
SECTION 8: Exposure controls/personal protection
Control parameters
no data available
no data available
Appropriate engineering controls
Ensure adequate ventilation. Handle in accordance with good industrial hygiene and safety practice. Set up emergency exits and the risk-elimination area.
Individual protection measures, such as personal protective equipment (PPE)
Wear tightly fitting safety goggles with side-shields conforming to EN 166(EU) or NIOSH (US).
Wear fire/flame resistant and impervious clothing. Handle with gloves. Gloves must be inspected prior to use. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.
If the exposure limits are exceeded, irritation or other symptoms are experienced, use a full-face respirator.
no data available
SECTION 9: Physical and chemical properties and safety characteristics
-
Physical state：
Liquid. Liquid.
-
Colour：
Pale yellow.
-
Odour：
It has a warm, woody, floral odor with balsamic and sweet tones and is strongly reminiscent of violet flowers.
-
Melting point/freezing point：
-13.7 °C. Atm. press.:965.7 hPa. Remarks:Freezing point less than -13.7 °C ,No freezing was observed up to -13.7 °C.
-
Boiling point or initial boiling point and boiling range：
207.7 °C. Atm. press.:968.6 hPa.
-
Flammability：
no data available
-
Lower and upper explosion limit/flammability limit：
no data available
-
Flash point：
87.3 °C. Atm. press.:973 hPa.
-
Auto-ignition temperature：
Atm. press.:995 hPa. Remarks:4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one did not catch fire on being exposed to air at room temperature of 23 degC.
-
Decomposition temperature：
no data available
-
pH：
4.55. Remarks:No other detail available.
-
Kinematic viscosity：
kinematic viscosity (in mm2/s) = 41.15. Temperature:20°C. Remarks:No other detail available.;kinematic viscosity (in mm2/s) = 28.405. Temperature:40°C. Remarks:No other detail available.;dynamic viscosity (in mPa s) = 36.45. Temperature:20°C. Remarks:No other detail available.
-
Solubility：
In water, 106 mg/L at 25 deg C
-
Partition coefficient n-octanol/water：
log Pow = 3.85. Remarks:Log Pow = 3.85 with a standard error of 0.08.
-
Vapour pressure：
3.61 Pa. Temperature:25 °C. Remarks:3.61 Pa = 0.0271 mm Hg at 25 deg C, estimated data.
-
Density and/or relative density：
0.916 g/cm3. Temperature:23 °C.
-
Relative vapour density：
no data available
-
Particle characteristics：
no data available
SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Incompatible materials: Strong oxidizing agents.
Hazardous decomposition products
Special hazards arising from the substance or mixture: Carbon oxides
SECTION 11: Toxicological information
Acute toxicity
- Oral: no data available
- Inhalation: no data available
- Dermal: no data available
Skin corrosion/irritation
no data available
Serious eye damage/irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
no data available
Reproductive toxicity
no data available
STOT-single exposure
no data available
STOT-repeated exposure
no data available
Aspiration hazard
no data available
SECTION 12: Ecological information
Toxicity
- Toxicity to fish: LC50 - Oncorhynchus mykiss (previous name: Salmo gairdneri) - 10.939 mg/L - 96 h.
- Toxicity to daphnia and other aquatic invertebrates: EC50 - Daphnia magna - 10 mg/L - 48 h.
- Toxicity to algae: EC50 - Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) - 9.27 mg/L - 72 h.
- Toxicity to microorganisms: NOEC - Pseudomonas aeruginosa - 1 278 mg/dish - 10 d.
Persistence and degradability
AEROBIC: The biodegradability of alpha-ionone is expected to be analogous to beta-ionone(SRC). Using the OECD 301F method (manometric respirometry) with an activated sludge inoculum, beta-ionone, at 50 mg/L, reached 79% of its theoretical BOD in 28 days which classified the compound as readily biodegradable(1). beta-Ionone was also classified as readily biodegradable by the results of a CO2-evolution test where beta-ionone, at 10 mg/L, achieved 46% and 73% CO2 evolution after 7 and 28 days respectively(1). Another respirometry study reported 80% biodegradation of beta-ionone at 100 mg/L(2). In a spiked river water die-away test using water from the Murrumbidgee River, beta-ionone, at 6.28 ug/L, was degraded about 95% after 20 hours of incubation(1). Results of a modified MITI test (OECD 301C) reported 50% degradation of beta-ionone after 28 days (consistent with inherent biodegradability), but concentrations or inoculum were not reported(1).
Bioaccumulative potential
An estimated BCF of 161 was calculated in fish for alpha-ionone(SRC), using a log Kow of 3.85(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC).
Mobility in soil
Using a structure estimation method based on molecular connectivity indices(1), the Koc of alpha-ionone can be estimated to be 670(SRC). According to a classification scheme(2), this estimated Koc value suggests that alpha-ionone is expected to have low mobility in soil.
Other adverse effects
no data available
SECTION 13: Disposal considerations
Disposal methods
The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.
Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.
SECTION 14: Transport information
UN Number
ADR/RID: Not dangerous goods. (For reference only, please check.)
IMDG: Not dangerous goods. (For reference only, please check.)
IATA: Not dangerous goods. (For reference only, please check.)
UN Proper Shipping Name
ADR/RID: Not dangerous goods. (For reference only, please check.)
IMDG: Not dangerous goods. (For reference only, please check.)
IATA: Not dangerous goods. (For reference only, please check.)
Transport hazard class(es)
ADR/RID: Not dangerous goods. (For reference only, please check.)
IMDG: Not dangerous goods. (For reference only, please check.)
IATA: Not dangerous goods. (For reference only, please check.)
Packing group, if applicable
ADR/RID: Not dangerous goods. (For reference only, please check.)
IMDG: Not dangerous goods. (For reference only, please check.)
IATA: Not dangerous goods. (For reference only, please check.)
Environmental hazards
ADR/RID: No
IMDG: No
IATA: No
Special precautions for user
no data available
Transport in bulk according to IMO instruments
no data available
SECTION 15: Regulatory information
Safety, health and environmental regulations specific for the product in question
SECTION 16: Other information
Abbreviations 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
- IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
- HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
- IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
- eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
- CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
- ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
- ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
- Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
- ECHA - European Chemicals Agency, website: https://echa.europa.eu/