Chemical Safety Data Sheet MSDS / SDS
Caffeic Acid-13C3
Revision Date:2026-05-31Revision Number:1
Product identifier
- Product name: Caffeic Acid-13C3
- CBnumber: CB91565682
- CAS: 1185245-82-2
- Synonyms: 3-(3,4-Dihydroxyphenyl)-2-propenoic Acid-13C3
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: 010-86108875
GHS Label elements, including precautionary statements
-
Symbol(GHS)
- Signal wordWarning
P201 Obtain special instructions before use.
P202 Do not handle until all safety precautions have been read and understood.
P261 Avoid breathing dust/fume/gas/mist/vapours/spray.
P264 Wash skin thouroughly after handling.
P271 Use only outdoors or in a well-ventilated area.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352 IF ON SKIN: wash with plenty of soap and water.
P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313 IF exposed or concerned: Get medical advice/attention.
P312 Call a POISON CENTER or doctor/physician if you feel unwell.
P321 Specific treatment (see … on this label).
P332+P313 IF SKIN irritation occurs: Get medical advice/attention.
P337+P313 IF eye irritation persists: Get medical advice/attention.
P403+P233 Store in a well-ventilated place. Keep container tightly closed.
P405 Store locked up.
P501 Dispose of contents/container to..…
Hazard statements
H315 Causes skin irritation
H319 Causes serious eye irritation
H351 Suspected of causing cancer
H361 Suspected of damaging fertility or the unborn child
H335 May cause respiratory irritation
Substance
- Product name: Caffeic Acid-13C3
- Synonyms: 3-(3,4-Dihydroxyphenyl)-2-propenoic Acid-13C3
- CAS: 1185245-82-2
- MF: C613C3H8O4
- MW: 183
Description of first aid measures
After inhalation
In case of unconsciousness place patient stably in side position for transportation.
After skin contact
Immediately wash with water and soap and rinse thoroughly.
After eye contact
Rinse opened eye for several minutes under running water. If symptoms persist, consult a doctor.
After swallowing
If symptoms persist consult doctor.
Most important symptoms and effects, both acute and delayed
No further relevant information available.
Indication of any immediate medical attention and special treatment needed
No further relevant information available.
Extinguishing media
Suitable extinguishing agents
Use fire fighting measures that suit the environment.
A solid water stream may be inefficient.
A solid water stream may be inefficient.
Special hazards arising from the substance or mixture
No further relevant information available.
Advice for firefighters
Protective equipment
No special measures required.
NFPA 704
2
0
0
| 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 | 0 | Materials that will not burn under typical fire conditions, including intrinsically noncombustible materials such as concrete, stone, and sand. Materials that will not burn in air when exposed to a temperature of 820 °C (1,500 °F) for a period of 5 minutes.(e.g. Carbon tetrachloride) | |
| 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
Not required.
Environmental precautions
Do not allow to enter sewers/ surface or ground water.
Methods and material for containment and cleaning up
Dispose contaminated material as waste according to section 13.
Ensure adequate ventilation.
Ensure adequate ventilation.
Protective Action Criteria for Chemicals
PAC-1
Substance is not listed.
PAC-2
Substance is not listed.
PAC-3
Substance is not listed.
Reference to other sections
See Section 7 for information on safe handling.
See Section 8 for information on personal protection equipment.
See Section 13 for disposal information.
See Section 8 for information on personal protection equipment.
See Section 13 for disposal information.
Precautions for safe handling
No special precautions are necessary if used correctly.
Avoid breathing dust/fume/gas/mist/vapours/spray.
Avoid prolonged or repeated exposure.
Keep away from sources of ignition.
Take precautionary measures against static discharge.re.
Avoid breathing dust/fume/gas/mist/vapours/spray.
Avoid prolonged or repeated exposure.
Keep away from sources of ignition.
Take precautionary measures against static discharge.re.
Information about protection against explosions and fires
No special measures required.
Conditions for safe storage, including any incompatibilities
Storage
Store in accordance with information listed on the product insert.
Requirements to be met by storerooms and receptacles
No special requirements.
Information about storage in one common storage facility
Not required.
Further information about storage conditions
Keep receptacle tightly sealed.
Specific end use(s)
No further relevant information available.
Control parameters
Components with limit values that require monitoring at the workplace
Not required.
Additional information
The lists that were valid during the creation were used as basis.
Exposure controls
Appropriate engineering controls
No further data; see section 7.
Personal protective equipment
General protective and hygienic measures
Keep away from foodstuffs, beverages and feed.
Immediately remove all soiled and contaminated clothing.
Wash hands before breaks and at the end of work.
Avoid contact with the eyes and skin.
Immediately remove all soiled and contaminated clothing.
Wash hands before breaks and at the end of work.
Avoid contact with the eyes and skin.
Breathing equipment
In case of brief exposure or low pollution use respiratory filter device. In case of intensive or longer exposure use respiratory protective device that is independent of circulating air.
Protection of hands
Protective gloves
The glove material has to be impermeable and resistant to the product/ the substance/ the preparation.
Due to missing tests no recommendation to the glove material can be given for the product/ the preparation/ the chemical mixture.
Selection of the glove material on consideration of the penetration times, rates of diffusion and the degradation
The glove material has to be impermeable and resistant to the product/ the substance/ the preparation.
Due to missing tests no recommendation to the glove material can be given for the product/ the preparation/ the chemical mixture.
Selection of the glove material on consideration of the penetration times, rates of diffusion and the degradation
Material of gloves
The selection of the suitable gloves does not only depend on the material, but also on further marks of quality and varies from manufacturer to manufacturer.
Penetration time of glove material
The exact break through time has to be found out by the manufacturer of the protective gloves and has to be observed.
Eye protection
Tightly sealed goggles
Information on basic physicochemical properties
- Physical StateSolid
- ColorGrey
- OdorCharacteristic
- Structural FormulaC6[13C]3H8O4
- Molecular Weight183.1 g/mol
- Odor ThresholdNot determined.
- Melting point/Melting rangeUndetermined.
- Boiling point/Boiling rangeUndetermined.
- FlammabilityProduct is not flammable.
- Explosion limitsLower: Not determined.
Upper: Not determined. - Flash pointNot applicable.
- Decomposition temperatureNot determined.
- pHNot applicable.
- KinematicNot applicable.
- SOLUBILITYDMSO: Slightly; Methanol: Very Slightly
- DynamicNot applicable.
- Solubility in / Miscibility withDMSO (Sparingly), Methanol (Slightly)
- WaterNot determined.
- Partition coefficient (n-octanol/water)Not determined.
- Vapor PressureNot applicable.
- DensityNot determined.
- Relative DensityNot determined.
- Vapor DensityNot applicable.
- Particle characteristicsNot determined.
- FormSolid
- Ignition temperatureNot determined.
- Danger of explosionProduct does not present an explosion hazard.
- Evaporation RateNot applicable.
Reactivity
No further relevant information available.
Chemical stability
Thermal decomposition / conditions to be avoided
No decomposition if used according to specifications.
Possibility of hazardous reactions
No dangerous reactions known.
Conditions to avoid
No further relevant information available.
Incompatible materials
Strong acids. Strong bases. Strong oxidizing agents
Hazardous decomposition products
carbon dioxide, carbon monoxide
RTECS Number
GD8950000 (Unlabeled Cas No. 331-39-5)
Information on toxicological effects
Acute toxicity
LD/LC50 values that are relevant for classification:
| Route | Endpoint | Value |
|---|---|---|
| Oral | TDLO | 50 mg/kg (guinea pig) 200 mg/kg (rat) |
Primary irritant effect
on the skin
Irritant to skin and mucous membranes.
on the eye
Irritating effect.
Sensitization
No sensitizing effects known.
Additional toxicological information
Interactive effects
No interactive effects between components are known.
Carcinogenic categories
IARC (International Agency for Research on Cancer)
Substance is not listed.
NTP (National Toxicology Program)
Substance is not listed.
OSHA-Ca (Occupational Safety & Health Administration)
Substance is not listed.
Alternative sources for toxicological information
No non-standard sources for toxicological information where used.
Toxicity
Aquatic toxicity
No further relevant information available.
Persistence and degradability
No further relevant information available.
Bioaccumulative potential
No further relevant information available.
Mobility in soil
No further relevant information available.
| · | Other adve | rse | effects | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| · | Additional | ecol | ogical | information: | ||||||||||
| · | General no | tes: | ||||||||||||
| Water haza | rd cl | ass 1 ( | Self-assessment): | slightly | hazardous | for | w | ater | ||||||
| Do not allo | w un | diluted | product or large q | uantitie | s of it to re | ach | ground | water, | water | course | or | sewage | ||
| system. |
Results of PBT and vPvB assessment
PBT:
Not applicable.
vPvB:
Not applicable.
Waste treatment methods
Recommendation
Must not be disposed of together with household garbage. Do not allow product to reach sewage system.
Uncleaned packagings
Recommendation
Disposal must be made according to official regulations.
UN-Number
DOT, IMDG, IATA UN2811
UN proper shipping name
DOT Toxic solids, organic, n.o.s. (Caffeic Acid-13C3)
IMDG TOXIC SOLID, ORGANIC, N.O.S. (Caffeic Acid-13C3)
IATA Toxic solid, organic, n.o.s. (Caffeic Acid-13C3)
IMDG TOXIC SOLID, ORGANIC, N.O.S. (Caffeic Acid-13C3)
IATA Toxic solid, organic, n.o.s. (Caffeic Acid-13C3)
Transport hazard class(es)
DOTClass: 6.1 Toxic substances
Label: 6.1
IMDG, IATA
Label: 6.1
Class: 6.1 Toxic substances
Label: 6.1
Label: 6.1
Packing group
DOT, IMDG, IATA II
Environmental hazards
Not applicable.
Transport in bulk according to Annex II of MARPOL73/78 and the IBC Code
Not applicable.
Transport/Additional information
DOT:
Quantity limitations
On passenger aircraft/rail: 25 kg
On cargo aircraft only: 100 kg
On cargo aircraft only: 100 kg
IMDG:
Limited quantities (LQ)
500 g
Excepted quantities (EQ)
Code: E4
Maximum net quantity per inner packaging: 1 g
Maximum net quantity per outer packaging: 500 g
Maximum net quantity per inner packaging: 1 g
Maximum net quantity per outer packaging: 500 g
Special precautions for user
Warning: Toxic substances
Hazard identification number (Kemler code)
60
EMS Number
F-A, S-A
Stowage Category
B
UN "Model Regulation"
UN 2811 TOXIC SOLID, ORGANIC, N.O.S. (CAFFEIC
ACID-13C3), 6.1, II
ACID-13C3), 6.1, II
Safety, health and environmental regulations/legislation specific for the substance or mixture
No further relevant information available.
Sara
| Section 355 (extremely hazardous substances): | Substance is not listed. |
| Section 313 (Specific toxic chemical listings): | Substance is not listed. |
| TSCA (Toxic Substances Control Act): | Substance is not listed. |
| Hazardous Air Pollutants: | Substance is not listed. |
| Chemicals known to cause cancer: | Substance is not listed. |
| Chemicals known to cause reproductive toxicity for females: | Substance is not listed. |
| Chemicals known to cause reproductive toxicity for males: | Substance is not listed. |
| Chemicals known to cause developmental toxicity: | Substance is not listed. |
Carcinogenic categories
| EPA (Environmental Protection Agency): | Substance is not listed. |
TLV (Threshold Limit Value)
Substance is not listed.
NIOSH-Ca (National Institute for Occupational Safety and Health)
Substance is not listed.
Chemical safety assessment
A Chemical Safety Assessment has not been carried out.
Abbreviations and acronyms
IMDG: International Maritime Code for Dangerous Goods
DOT: US Department of Transportation
IATA: International Air Transport Association
CAS: Chemical Abstracts Service (division of the American Chemical Society)
NFPA: National Fire Protection Association (USA)
HMIS: Hazardous Materials Identification System (USA)
LC50: Lethal concentration, 50 percent
LD50: Lethal dose, 50 percent
PBT: Persistent, Bioaccumulative and Toxic vPvB: very Persistent and very Bioaccumulative
NIOSH: National Institute for Occupational Safety
OSHA: Occupational Safety & Health
TLV: Threshold Limit Value
PEL: Permissible Exposure Limit
REL: Recommended Exposure Limit
Skin irritation 2: Skin corrosion/irritation – Category 2
Eye irritation 2A: Serious eye damage/eye irritation – Category 2A
Carcinogenicity 2: Carcinogenicity – Category 2
Reproductive toxicity 2: Reproductive toxicity – Category 2
Specific target organ toxicity (single exposure) 3: Specific target organ toxicity (single exposure) – Category 3
DOT: US Department of Transportation
IATA: International Air Transport Association
CAS: Chemical Abstracts Service (division of the American Chemical Society)
NFPA: National Fire Protection Association (USA)
HMIS: Hazardous Materials Identification System (USA)
LC50: Lethal concentration, 50 percent
LD50: Lethal dose, 50 percent
PBT: Persistent, Bioaccumulative and Toxic vPvB: very Persistent and very Bioaccumulative
NIOSH: National Institute for Occupational Safety
OSHA: Occupational Safety & Health
TLV: Threshold Limit Value
PEL: Permissible Exposure Limit
REL: Recommended Exposure Limit
Skin irritation 2: Skin corrosion/irritation – Category 2
Eye irritation 2A: Serious eye damage/eye irritation – Category 2A
Carcinogenicity 2: Carcinogenicity – Category 2
Reproductive toxicity 2: Reproductive toxicity – Category 2
Specific target organ toxicity (single exposure) 3: Specific target organ toxicity (single exposure) – Category 3
Disclaimer:
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.
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