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Chemical Safety Data Sheet MSDS / SDS

4-tert-Butylbenzoic acid

Revision Date:2024-08-24Revision Number:1

SECTION 1: Identification of the substance/mixture and of the company/undertaking

Product identifier

  • Product name: 4-tert-Butylbenzoic acid
  • CBnumber: CB2215383
  • CAS: 98-73-7
  • EINECS Number: 202-696-3
  • Synonyms: 4-tert-butylbenzoic acid,PTBBA

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

SECTION 2: Hazards identification

GHS Label elements, including precautionary statements

  • Symbol(GHS)
  • Signal wordDanger
Precautionary statements
P501 Dispose of contents/container to..…
P405 Store locked up.
P391 Collect spillage. Hazardous to the aquatic environment
P312 Call a POISON CENTER or doctor/physician if you feel unwell.
P307+P311 IF exposed: call a POISON CENTER or doctor/physician.
P280 Wear protective gloves/protective clothing/eye protection/face protection.
P273 Avoid release to the environment.
P270 Do not eat, drink or smoke when using this product.
P264 Wash skin thouroughly after handling.
P264 Wash hands thoroughly after handling.
P260 Do not breathe dust/fume/gas/mist/vapours/spray.
P202 Do not handle until all safety precautions have been read and understood.
P201 Obtain special instructions before use.
Hazard statements
H411 Toxic to aquatic life with long lasting effects
H373 May cause damage to organs through prolonged or repeated exposure
H372 Causes damage to organs through prolonged or repeated exposure
H370 Causes damage to organs
H360 May damage fertility or the unborn child
H320 Causes eye irritation
H311 Toxic in contact with skin
H302 Harmful if swallowed

SECTION 3: Composition/information on ingredients

Substance

  • Product name: 4-tert-Butylbenzoic acid
  • Synonyms: 4-tert-butylbenzoic acid,PTBBA
  • CAS: 98-73-7
  • EC number: 202-696-3
  • MF: C11H14O2
  • MW: 178.23

SECTION 4: First aid measures

Description of first aid measures

General advice
Consult a physician. Show this material safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

Most important symptoms and effects, both acute and delayed

The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11

Indication of any immediate medical attention and special treatment needed

No data available

SECTION 5: Firefighting measures

Extinguishing media

Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Special hazards arising from the substance or mixture

Carbon oxides

Advice for firefighters

Wear self-contained breathing apparatus for firefighting if necessary.

Further information

No data available

NFPA 704

3
1
0
HEALTH 3 Short exposure could cause serious temporary or moderate residual injury (e.g. liquid hydrogen, sulfuric acid, calcium hypochlorite, hexafluorosilicic acid)
FIRE 1 Materials that require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur. Includes some finely divided suspended solids that do not require heating before ignition can occur. Flash point at or above 93.3 °C (200 °F). (e.g. mineral oil, ammonia)
REACT 0 Normally stable, even under fire exposure conditions, and is not reactive with water (e.g. helium,N2)
SPEC. HAZ.

SECTION 6: Accidental release measures

Personal precautions, protective equipment and emergency procedures

Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.

For personal protection see section 8.

Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

Methods and materials for containment and cleaning up

Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.

Reference to other sections

For disposal see section 13.

SECTION 7: Handling and storage

Precautions for safe handling

Advice on safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols.

Advice on protection against fire and explosion

Provide appropriate exhaust ventilation at places where dust is formed.

Hygiene measures

Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the product.

For precautions see section 2.2.

Conditions for safe storage, including any incompatibilities

Storage conditions

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

Specific end use(s)

Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection

control parameter

Hazard composition and occupational exposure limits
Does not contain substances with occupational exposure limits.

Exposure controls

Personal protective equipment
Eye/face protection

Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

The selected protective gloves have to satisfy the specifications of Regulation (EU) 2016/425 and the standard EN 374 derived from it.

Full contact

Material: Nitrile rubber

Minimum layer thickness: 0,11 mm Break through time: 480 min

Material tested:Dermatril? (KCL 740 / Aldrich Z677272, Size M)

Splash contact Material: Nitrile rubber

Minimum layer thickness: 0,11 mm Break through time: 480 min

Material tested:Dermatril? (KCL 740 / Aldrich Z677272, Size M)

data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300, e-mail sales@kcl.de, test method: EN374

If used in solution, or mixed with other substances, and under conditions which differ from EN 374, contact the supplier of the EC approved gloves. This recommendation is advisory only and must be evaluated by an industrial hygienist and safety officer familiar with the specific situation of anticipated use by our customers. It should not be construed as offering an approval for any specific use scenario.

Body Protection

Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.

Respiratory protection

Where risk assessment shows air-purifying respirators are appropriate use a full- face particle respirator type N99 (US) or type P2 (EN 143) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Control of environmental exposure

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

SECTION 9: Physical and chemical properties

Information on basic physicochemical properties

  • Appearancewhite flakes
  • OdourNo data available
  • Odour ThresholdNo data available
  • pH3.9 (H2O, 20℃)(saturated solution)
  • Melting point/freezing pointMelting point/range: 162 - 165 °C - lit.
  • Initial boiling point and boiling range280°C
  • Flash point158 °C - closed cup
  • Evaporation rateNo data available
  • Flammability (solid, gas)No data available
  • Upper/lower flammability or explosive limitsNo data available
  • Vapour pressure <0.01 hPa (20 °C)
  • Vapour density No data available
  • Relative densityNo data available No data available
  • Water solubility12.6g/l
  • Partition coefficient: n-octanol/waterNo data available
  • Autoignition temperatureNo data available
  • Decomposition temperatureNo data available
  • ViscosityViscosity, kinematic: No data available Viscosity, dynamic: No data available
  • Explosive propertiesNo data available
  • Oxidizing propertiesNo data available

Other safety information

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

Strong oxidizing agents, Strong bases

Hazardous decomposition products

In the event of fire: see section 5

SECTION 11: Toxicological information

Information on toxicological effects

Acute toxicity
LD50 Oral - Rat - 473 - 735 mg/kg Remarks: (External MSDS)
Symptoms: Cough, Shortness of breath Dermal
Skin corrosion/irritation
Skin - Rabbit
Result: No skin irritation - 4 h (OECD Test Guideline 404)
Serious eye damage/eye irritation
Eyes - Rabbit
Result: No eye irritation (OECD Test Guideline 405)
Respiratory or skin sensitization
(OECD Test Guideline 406)
Germ cell mutagenicity
Test Type: Ames test
Test system: Salmonella typhimurium
Metabolic activation: with and without metabolic activation Result: negative
Remarks: (ECHA)
Test Type: Mutagenicity (mammal cell test): micronucleus. Test system: Chinese hamster lung cells
Metabolic activation: Metabolic activation Method: OECD Test Guideline 487 Result: positive
Test Type: In vivo micronucleus test Species: Rat
Cell type: Bone marrow Application Route: Oral
Method: OECD Test Guideline 475 Result: negative
Carcinogenicity
No data available
Reproductive toxicity
May damage fertility.
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
Causes damage to organs through prolonged or repeated exposure.
No data available
Toxicity
LD50 orally in Rabbit: 473 - 735 mg/kg

SECTION 12: Ecological information

Toxicity

Toxicity to fish
semi-static test LC50 - Oryzias latipes (Orange-red killifish) - 70 mg/l

- 96 h

(OECD Test Guideline 203)

Toxicity to daphnia and other aquatic invertebrates

static test EC50 - Daphnia magna (Water flea) - 24 mg/l - 48 h (US-EPA)

Toxicity to algae
static test ErC50 - Pseudokirchneriella subcapitata (green algae) - > 94 mg/l - 72 h

(OECD Test Guideline 201)

static test NOEC - Pseudokirchneriella subcapitata (green algae) - 21 mg/l - 72 h

(OECD Test Guideline 201)

Toxicity to bacteria
static test NOEC - activated sludge - 319 mg/l - 3 h

(OECD Test Guideline 209)

Persistence and degradability

Biodegradability Result: 41 - 46 % - Not readily biodegradable.

(OECD Test Guideline 301B)

Biochemical Oxygen Demand (BOD)

Chemical Oxygen Demand (COD)

260 mg/g

Remarks: (External MSDS)

2.370 mg/g

Remarks: (External MSDS)

Bioaccumulative potential

No data available

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

Toxic to aquatic life.

SECTION 13: Disposal considerations

Waste treatment methods

Product

Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.

Contaminated packaging

Dispose of as unused product.

SECTION 14: Transport information

UN number

ADR/RID: 2811 IMDG: 2811 IATA: 2811

UN proper shipping name

ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (4-tert-Butylbenzoic acid) IMDG: TOXIC SOLID, ORGANIC, N.O.S. (4-tert-Butylbenzoic acid) IATA: Toxic solid, organic, n.o.s. (4-tert-Butylbenzoic acid)

Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

Packaging group

ADR/RID: III IMDG: III IATA: III

Environmental hazards

ADR/RID: no IMDG Marine pollutant: no IATA: no

Special precautions for user

No data available

SECTION 15: Regulatory information

Safety, health and environmental regulations/legislation specific for the substance or mixture

Regulations on the Safety Management of Hazardous Chemicals
China Catalog of Hazardous chemicals 2015:Not Listed. website: https://www.mem.gov.cn/
Measures for Environmental Management of New Chemical Substances
Vietnam National Chemical Inventory:Listed. website: https://chemicaldata.gov.vn/
United States Toxic Substances Control Act (TSCA) Inventory:Listed. website: https://www.epa.gov/
Philippines Inventory of Chemicals and Chemical Substances (PICCS):Listed. website: https://emb.gov.ph/
New Zealand Inventory of Chemicals (NZIoC):Listed. website: https://www.epa.govt.nz/
Korea Existing Chemicals List (KECL):Listed. website: http://ncis.nier.go.kr
European Inventory of Existing Commercial Chemical Substances (EINECS):Listed. website: https://echa.europa.eu/
EC Inventory:Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC):Listed. website: https://www.mee.gov.cn/

SECTION 16: Other information

Abbreviations 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/

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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