93-79-8 structure, C12H13Cl3O3

2,4,5-T-butyl

CAS No.

93-79-8

Formula:

C12H13Cl3O3

Basic Info

Formula
C12H13Cl3O3
Molecular Weight
311.589
Exact Mass
309.993
LogP
4.3689
PSA
35.53
Synonyms

2,4,5-T n-butyl ester

butyl (2,4,5-trichlorophenoxy)acetate

Acetic acid, (2,4,5-trichlorophenoxy)-, butyl ester

butyl 2-(2,4,5-trichlorophenoxy)acetate

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Properties

Density
1.324g/cm3
Boiling Point
371.9ºC at 760 mmHg
Flash Point
142.2ºC
Refractive Index
1.528

Safety Info

HS Code
2918990090

MSDS

SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,4,5-T-butyl

1.2 Other means of identification

Product number -
Other names butyl (2,4,5-trichlorophenoxy)acetate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
2,4,5-T-butyl 2,4,5-T-butyl 93-79-8 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this 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. 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.

4.2 Most important symptoms/effects, acute and delayed

SYMPTOMS: Symptoms of exposure to this compound may include skin and eye irritation. ACUTE/CHRONIC HAZARDS: This compound may cause irritation on contact. When heated to decomposition it emits toxic fumes.

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Absorption, Distribution and Excretion

THE CHLOROPHENOXY COMPOUNDS ARE ABSORBED ACROSS THE GUT WALL, LUNG, & THE SKIN. THEY ARE NOT SIGNIFICANTLY FAT STORABLE. EXCRETION OCCURS WITHIN HOURS, OR AT MOST DAYS, PRIMARILY IN THE URINE. /CHLOROPHENOXY CMPD/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Extinguish fire using agent suitable for type of surrounding fire. /2,4,5-T amine, ester, or salt/

5.2 Specific hazards arising from the chemical

Flash point data for this chemical are not available. It is probably combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 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.

6.3 Methods and materials for containment and cleaning up

Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Cover solids with a plastic sheet to prevent dissolving in rain or fire fighting water. /2,4,5-T amine, ester, or salt/

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

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

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. 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 EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state PHYSICAL DESCRIPTION: Clear colorless liquid or white solid.
Colour no data available
Odour no data available
Melting point/ freezing point 82 to 30°C
Boiling point or initial boiling point and boiling range 371.9ºC at 760 mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 142.2ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility less than 1 mg/mL at 21.11°C
Partition coefficient n-octanol/water (log value) log Kow= 4.81.
Vapour pressure no data available
Density and/or relative density 1.324g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

They will burn, though they may take some effort to ignite. /2,4,5-T amine, ester, or salt/2,4,5-T, N-BUTYL ESTER is an ester of a chlorinated organic acid. May react exothermically with acids to generate butyl alcohol and 2,4,5-trichlorophenoxyacetic. Strong oxidizing acids may cause a reaction that is sufficiently exothermic to ignite the reaction products. Heat may also be generated with caustic solutions.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

Hydrogen chloride gas and other irritating fumes may form during fires. /2,4,5-T esters/

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat female oral 481 mg/kg
  • 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

Classification of carcinogenicity: 1) evidence in humans: limited; Overall summary evaluation of carcinogenic risk to humans is Group 2B: The agent is possibly carcinogenic to humans. /Chlorophenoxy herbicides; From table/

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50 Lepomis macrochirus (bluegill) 12 mg/l/24 hr (50% emulsion of 2,4,5-T esters) /Conditions of bioassay not given
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

No data on the bioconcentration of the n-butyl ester of 2,4,5-T could be found in the literature. From the log of its octanol/water partition coefficient, 4.8(1), one would estimate a log BCF of 3.43(2). Because of hydrolysis, this bioconcentration potential must be viewed as an upper limit(SRC).

12.4 Mobility in soil

Concentrations of 2,4-D and 2,4,5-T in soils and leachates ... were monitored for up to 28 months to characterize the patterns of herbicide mobility in soils under climatic conditions of the Palouse region of the Pacific Northwest (USA). ... Soils from Washington, Wyoming, or Mississippi ... treated with 1120 or 5600 kg/ha of a 1:1 mixture of 2,4-D and 2,4,5-T n-butyl esters in 1976, 1977, or 1978. The winter of 1976-1977 was mild and relatively dry, and little leachate could be collected. Subsequent winters were wet and the soil columns were saturated by the following springs. 2,4-D (< 1 ppm) was found in leachates from Washington and Wyoming soils receiving the herbicide application in 1976 or 1977 and > 30 ppm was found in leachates from Washington soil treated in 1978. 2,4-D (> 10 ppm) was found in leachates from the acidic Mississippi soil receiving high rate of herbicide application in 1977 or 1978. Concentrations of 2,4,5-T in the same leachates were higher for the Washington and Wyoming soils, but lower (than corresponding concentrations of 2,4-D) for the Mississippi soil. In all cases, 96-99% of the undegraded herbicides ... remained in the 0-10 cm soil layer after 2-3 winters, and only 0.14-1.65% of the 2,4,-D and 0.33-3.7% of the 2,4,5-T remaining ... were present in the 10-30 cm depths. Mobility characterization by soil TLC showed that the ester form of both herbicides was relatively immobile, the acid form was less mobile in the Mississippi soil than in Washington and Wyoming soils and 2,4-D was slightly more mobile than 2,4,5-T under corresponding conditions.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

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.

Contaminated packaging

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.

14.Transport information

14.1 UN Number

ADR/RID: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
2,4,5-T-butyl 2,4,5-T-butyl 93-79-8 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 14, 2017
Revision Date Aug 14, 2017

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/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Spectrum

NMR Spectrum 1H NMR : Predict
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