3,5,5-trimethylcyclohex-2-enone SDS
SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifier
- Product name： 3,5,5-trimethylcyclohex-2-enone
- CAS： 78-59-1
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
Acute toxicity - Category 4, Oral
Acute toxicity - Category 4, Dermal
Eye irritation, Category 2
Specific target organ toxicity – single exposure, Category 3
Carcinogenicity, Category 2
GHS label elements, including precautionary statements
-
Pictogram(s)
- Signal word Warning
H302 Harmful if swallowed
H312 Harmful in contact with skin
H319 Causes serious eye irritation
H335 May cause respiratory irritation
H351 Suspected of causing cancer
P264 Wash ... thoroughly after handling.
P270 Do not eat, drink or smoke when using this product.
P280 Wear protective gloves/protective clothing/eye protection/face protection/hearing protection/...
P261 Avoid breathing dust/fume/gas/mist/vapours/spray.
P271 Use only outdoors or in a well-ventilated area.
P203 Obtain, read and follow all safety instructions before use.
P301+P317 IF SWALLOWED: Get medical help.
P330 Rinse mouth.
P302+P352 IF ON SKIN: Wash with plenty of water/...
P317 Get medical help.
P321 Specific treatment (see ... on this label).
P362+P364 Take off contaminated clothing and wash it before reuse.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.
P319 Get medical help if you feel unwell.
P318 IF exposed or concerned, get medical advice.
P403+P233 Store in a well-ventilated place. Keep container tightly closed.
P405 Store locked up.
P501 Dispose of contents/container to an appropriate treatment and disposal facility in accordance with applicable laws and regulations, and product characteristics at time of disposal.
Other hazards which do not result in classification
no data available
SECTION 3: Composition/information on ingredients
Substance
- Chemical name: 3,5,5-trimethylcyclohex-2-enone
- Common names and synonyms: 3,5,5-trimethylcyclohex-2-enone
- CAS number: 78-59-1
- EC number: 201-126-0
- Concentration: 100%
SECTION 4: First aid measures
Description of necessary first-aid measures
Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Give a slurry of activated charcoal in water to drink. Do NOT induce vomiting.
Most important symptoms/effects, acute and delayed
LIQUID: Irritating to skin and eyes. Harmful if swallowed. (USCG, 1999)
Indication of immediate medical attention and special treatment needed, if necessary
Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary . For contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal . Ketones and related compounds
SECTION 5: Firefighting measures
Suitable extinguishing media
Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.
Specific hazards arising from the chemical
Combustible. (USCG, 1999)
Special protective actions for fire-fighters
Use water spray, powder, foam, carbon dioxide.
SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Environmental precautions
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Methods and materials for containment and cleaning up
If leak or spill has not ignited, use water spray to disperse vapors & to protect men attempting to stop leak.
SECTION 7: Handling and storage
Precautions for safe handling
NO open flames. Above 84°C use a closed system and ventilation. 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
Separated from strong oxidants, strong bases and amines.store in a cool, dry, well-ventilated location. Outside or detached storage is preferred. Separate from oxidizing materials.
SECTION 8: Exposure controls/personal protection
Control parameters
TLV: 5 ppm as STEL; A3 (confirmed animal carcinogen with unknown relevance to humans).MAK: 11 mg/m3, 2 ppm; peak limitation category: I(2); carcinogen category: 3B; pregnancy risk group: C
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 safety spectacles.
Protective gloves.
Use ventilation, local exhaust or breathing protection.
no data available
SECTION 9: Physical and chemical properties and safety characteristics
-
Physical state：
Liquid.
-
Colour：
None.
-
Odour：
Peppermint-like odor
-
Melting point/freezing point：
-8.1 °C.
-
Boiling point or initial boiling point and boiling range：
215.3 °C. Atm. press.:1 013 hPa.
-
Flammability：
Class IIIA Combustible Liquid: Fl.P. at or above 140°F and below 200°F.
-
Lower and upper explosion limit/flammability limit：
Lower 0.8% by vol; upper 3.8%
-
Flash point：
85 °C. Atm. press.:Ca. 1 013 hPa.
-
Auto-ignition temperature：
470 °C. Atm. press.:Ca. 1 013 hPa.
-
Decomposition temperature：
no data available
-
pH：
no data available
-
Kinematic viscosity：
kinematic viscosity (in mm2/s) = 2.83. Temperature:20°C.
-
Solubility：
0.1 to 1 mg/mL at 64° F (NTP, 1992)
-
Partition coefficient n-octanol/water：
log Pow = 1.67. Temperature:20 °C. Remarks:PH not reported (not relevant for non-dissociating substance).
-
Vapour pressure：
0.4 hPa. Temperature:20 °C. Remarks:For values at other temperatures see below.
-
Density and/or relative density：
921.5 kg/m3. Temperature:20 °C.
-
Relative vapour density：
4.77 (vs air)
-
Particle characteristics：
no data available
SECTION 10: Stability and reactivity
Reactivity
Reacts with strong oxidants, strong bases and amines.
Chemical stability
no data available
Possibility of hazardous reactions
Flammable & explosive when exposed to heat or flame.Ketones, such as ISOPHORONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. Forms explosive peroxides
Conditions to avoid
no data available
Incompatible materials
Incompatible with strong oxidizers
Hazardous decomposition products
no data available
SECTION 11: Toxicological information
Acute toxicity
- Oral: LD50 - rat (male/female) - 1 500 mg/kg bw. Remarks:LD50?confidence?limits:?1400-1800?mg/kg.
- Inhalation: LC50 - rat (male) - 7 mg/L air.
- Dermal: LD50 - rabbit (male/female) - 1 200 mg/kg bw.
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
Cancer Classification: Group C Possible Human Carcinogen
Reproductive toxicity
No studies were located regarding developmental or reproductive effects in humans. (-) Limited evidence in animal studies suggests that isophorone may cause birth defects such as fetal malformations and growth retardation from inhalation exposure to isophorone during pregnancy.
STOT-single exposure
The substance and the vapour are irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system.
STOT-repeated exposure
no data available
Aspiration hazard
A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20°C.
SECTION 12: Ecological information
Toxicity
- Toxicity to fish: LC50 - Pimephales promelas - 228 mg/L - 96 h.
- Toxicity to daphnia and other aquatic invertebrates: NOEC - Daphnia magna - 15 mg/L - 48 h.
- Toxicity to algae: EC50 - Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) - 475 mg/L - 72 h.
- Toxicity to microorganisms: EC50 - activated sludge of a predominantly domestic sewage - 100 mg/L - 3 h. Remarks:Respiration rate.
Persistence and degradability
AEROBIC: Isophorone, present at 100 mg/l, reached 3% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(1). Removal of isophorone from unacclimated fresh and salt water seeded with settled domestic wastewater was 42 and 9%, respectively, after 20 days(3). Removal of isophorone from wastewater treated by various different biological treatment processes: trickling filter, activated sludge, aerated lagoon, and facultative lagoon was 19, 98, 24, and 30%, respectively(4); therefore this compound is not expected to biodegrade rapidly(SRC). A 100% loss was observed when 5 and 10 mg/l isophorone underwent a 7-day static incubation in the dark at 25 deg C under aerobic conditions using settled domestic wastewater as inoculum(2). Using a multi-level respirometric test protocol employing a sludge microbiota, a half-life of 25 days for 100 mg test compound was determined(5).
Bioaccumulative potential
A BCF of 7 was measured for isophorone in bluegill sunfish(1). The half-life of isophorone in fish tissue was found to be 1 day(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Mobility in soil
The Koc of isophorone is estimated as 200(SRC), using a log Kow of 1.7(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isophorone is expected to have moderate 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/
Other Information
The occupational exposure limit value should not be exceeded during any part of the working exposure.