51338-27-3 structure, C16H14Cl2O4

diclofop-methyl

CAS No.

51338-27-3

Formula:

C16H14Cl2O4

Basic Info

Formula
C16H14Cl2O4
Molecular Weight
341.186
Exact Mass
340.027
LogP
4.726
PSA
44.76
Synonyms

methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate

methyl (RS)-2-[4-(2,4-dichlorophenoxy)phenoxy]propionate

Diclofop-methyl

rac-methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate

Diclofop methyl

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Properties

Appearance & Physical State
Dark brown Liquid free of visible impurities.
Density
1.3
Boiling Point
173-175ºC (0.1 mbar)
Melting Point
39-41ºC
Flash Point
150.3ºC
Water Solubility
0.005 g/100 mL
Storage Condition
0-6ºC

Safety Info

RTECS
UF1180000
Safety Statements
S24-S37-S60-S61
Risk Statements
R22; R43; R50/53
HS Code
2918990025
RIDADR
UN 3077
Hazard Codes

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 diclofop-methyl

1.2 Other means of identification

Product number -
Other names methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Herbicide
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

Acute toxicity - Oral, Category 4

Skin sensitization, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H317 May cause an allergic skin reaction

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
diclofop-methyl diclofop-methyl 51338-27-3 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

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: Inhalation of material may be harmful. Contact may cause burns to skin and eyes. Inhalation of Asbestos dust may have a damaging effect on the lungs. Fire may produce irritating, corrosive and/or toxic gases. Some liquids produce vapors that may cause dizziness or suffocation. Runoff from fire control may cause pollution. (ERG, 2016)

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

Bath and shampoo with soap and water to remove chemicals from skin and hair. Obtain medical treatment if irritation persists. Individuals with chronic skin disease or known sensitivity to these herbicides should either avoid using them or take strict precautions to avoid contact (respirator, gloves, etc). Flush contaminating chemicals from eyes with copious amounts of clean water for 10-15 minutes. If irritation persists, obtain medical treatment. /Chlorophenoxy cmpd/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: SMALL FIRE: Dry chemical, CO2, water spray or regular foam. LARGE FIRE: Water spray, fog or regular foam. Do not scatter spilled material with high-pressure water streams. Move containers from fire area if you can do it without risk. Dike fire-control water for later disposal. FIRE INVOLVING TANKS: Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. (ERG, 2016)

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: Some may burn but none ignite readily. Containers may explode when heated. Some may be transported hot. For UN3508, be aware of possible short circuiting as this product is transported in a charged state. (ERG, 2016)

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

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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 where contamination of fertilizer, seed, and foodstuffs will not occur.

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 Dark brown Liquid free of visible impurities.
Colour Colorless crystals
Odour Odorless
Melting point/ freezing point 39-41ºC
Boiling point or initial boiling point and boiling range 173-175ºC (0.1 mbar)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 150.3ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:0.005 g/100 mL
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 0.034 mPa at 20°C
Density and/or relative density 1.3
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

Decomposed by UV irradiation, and by strong acids and alkalis.

10.3 Possibility of hazardous reactions

A bridged diphenyl.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat acute oral 580 mg/kg
  • Inhalation: no data available
  • Dermal: LD50 Rat percutaneous >5000 mg/kg

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: Likely to be Carcinogenic to Humans

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 Rainbow trout 0.35 mg/l/96 hr /Conditions of bioassay not specified
  • 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

In soil, the rate of hydrolysis of dichlorfop-methyl followed the order pH 6.4>7.5>5.5(1). Dichlorfop-methyl appears to be hydrolyzed in soil by hydrolase enzymes associated with viable microorganisms(1). As established in model ecosystems or by direct measurements of soils or waters, dichlorfop-methyl undergoes decarboxylation and ether cleavage reactions in biological systems(2). Dichlorfop-methyl undergoes rapid microbial hydrolysis of the ester bond(3). Dichlorfop, the corresponding acid, was formed and was extensively degraded under aerobic conditions, the final product being CO2(3). Under anaerobic conditions, the degradation proceeded to a small extent, at most, where 3% of the applied radioactivity is accounted for by the degradation product 4-(2,4-dichlorophenoxy)phenol(3). No other metabolite, including CO2 was observed implying a lack of any further degradation(3). In a degradation study of dichlorfop-methyl in moist non-sterile heavy clay, silty clay, and sandy loam soils, an initial and rapid hydrolysis to the corresponding acid was followed by a much slower hydrolytic process so that traces of the ester could still be seen after 10 weeks(4). Dichlorfop-methyl showed significantly more degradation in the presence of nonsterile sediment than in the presence of sterile sediment(5). It also biodegraded faster in the presence of sediment than in water alone(5). No racemization of the ester takes place upon hydrolysis in soil, but inversion of configuration of the hydrolysis products is observed (the S-configuration showed a higher inversion tendency than the R-configuration)(6).

12.3 Bioaccumulative potential

Based upon an experimental water solubility of 3 mg/l(1), the BCF of dichlorfop-methyl can be estimated to be approximately 300 from a regression-derived equation(2). This estimated BCF value suggests moderate bioconcentration in aquatic organisms(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indexes, the Koc for dichlorfop-methyl can be estimated to be about 4000(1). The Koc for dichlorfop-methyl can be estimated to be about 2400 based on an estimated water solubility of 3 mg/L(3) and a regression derived equation(2). Koc for dichlorfop-methyl has also been determined to be 16,000(4). According to a suggested classification scheme(5), these estimated and experimental Koc values suggest that dichlorfop-methyl will be slightly mobile to immobile in soil.

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: UN3077 IMDG: UN3077 IATA: UN3077

14.2 UN Proper Shipping Name

ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IATA: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: unknown IMDG: unknown IATA: unknown

14.4 Packing group, if applicable

ADR/RID: unknown IMDG: unknown IATA: unknown

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

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
diclofop-methyl diclofop-methyl 51338-27-3 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) 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) 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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Analysis Methods

Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
2339.
Temperature Control
220.
Method
isothermal
Comments
 
Reference
Erdmann, F.Rochholz, G.Schütz, H.Retention-indices on OV-1 of approximately 170 commonly used pesticidesMikrochim. Acta1992, 106, 3-6, 219-226.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
5 % Phenyl methyl siloxane
Retention index
2395.
Temperature Control
Method
custom temperature program
Comments
30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C(1 min) <sup> </sup>25 0C/min -&gt; 125 0C <sup> </sup>10 0C/min -&gt; 300 0C (10 min)
Reference
Department of Food Safety, Ministry of HealthWelfareAnalytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods2006, retrieved from http://www.mhlw.go.jp/english/topics/foodsafety/positivelist060228/de/060526-1a.pdf.

Downstream Product

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