(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid SDS
SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifier
- Product name： (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid
- CAS： 138-59-0
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: (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid
- Common names and synonyms: (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid
- CAS number: 138-59-0
- EC number: 205-334-2
- 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
no data available
SECTION 5: Firefighting measures
Suitable extinguishing media
Use dry chemical, carbon dioxide or alcohol-resistant foam.
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
Collect and arrange disposal. Keep the chemical in suitable and closed containers for disposal. Remove all sources of ignition. Use spark-proof tools and explosion-proof equipment. Adhered or collected material should be promptly disposed of, in accordance with appropriate laws and regulations.
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
Store the container tightly closed in a dry, cool and well-ventilated place. Store apart from foodstuff containers or incompatible materials.
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：
Solid. Crystalline.
-
Colour：
Off-white.
-
Odour：
no data available
-
Melting point/freezing point：
183 °C. Remarks:The melting point according to the A.1 methodology is the temperature of the highest endothermal peak.
-
Boiling point or initial boiling point and boiling range：
127°C/14mmHg(lit.)
-
Flammability：
no data available
-
Lower and upper explosion limit/flammability limit：
no data available
-
Flash point：
107°C(lit.)
-
Auto-ignition temperature：
Remarks:The test could be carried out up to the melting point of the substance, in this case up to ca. 183 °C. There is no measurable self-ignition of the Shikimic acid.
-
Decomposition temperature：
no data available
-
pH：
no data available
-
Kinematic viscosity：
no data available
-
Solubility：
Water solubility = 1.5X10+5 mg/l @ 21 deg C
-
Partition coefficient n-octanol/water：
log Pow = Ca. -1.5. Temperature:21 °C.
-
Vapour pressure：
Ca. 0 Pa. Temperature:Ca. 25 °C.
-
Density and/or relative density：
1.52 g/cm3. Temperature:27.2 °C.;1.52. Temperature:27.2 °C.
-
Relative vapour density：
no data available
-
Particle characteristics：
no data available
SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
no data available
Hazardous decomposition products
When heated to decomposition it emits acrid smoke and irritating fumes.
SECTION 11: Toxicological information
Acute toxicity
- Oral: LD50 - rat (male/female) - > 2 000 mg/kg bw.
- 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 are available in humans. Inadequate evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans.
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 - Cyprinus Caproi, Teleostei, Cyprinidae - > 100 mg/L - 96 h.
- Toxicity to daphnia and other aquatic invertebrates: EC50 - Daphnia magna - > 10 - <= 100 mg/L - 48 h.
- Toxicity to algae: EC50 - Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) - > 100 mg/L - 72 h.
- Toxicity to microorganisms: no data available
Persistence and degradability
At 100 ppm shikimic acid, the oxygen uptake by selected aerobic bacteria of the genera Pseudomonas, Flavobacterium, Achromobacter, and Xanthomonas (obtained from garden soil, compost, and sediment from a waste lagoon of a petroleum refinery catalytic cracking plant) inoculated in a mineral salt medium was approximately 150 ul after 120 minutes(1). Benthic microorganisms isolated from two types of bottom sediment of eutrophic Lake Jeziorak in Poland were able to utilize shikimic acid as a source of carbon(2).
Bioaccumulative potential
An estimated BCF value of 0.74 was calculated for shikimic acid(SRC), using an experimental water solubility of 1.5X10+5 mg/l(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).
Mobility in soil
The Koc of shikimic acid is estimated as approximately 6(SRC), using a measured water solubility of 1.5X10+5 mg/l(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that shikimic acid is expected to have very high mobility in soil(SRC).
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/