17796-82-6 structure, C14H15NO2S

Cyclohexylthiophthalimide

CAS No.

17796-82-6

Formula:

C14H15NO2S

Basic Info

Cyclohexylthiophthalimide (abbreviated CTP) is an organosulfur compound that is used in production of rubber. It is a white solid, although commercial samples often appear yellow. It features the sulfenamide functional group, being a derivative of phthalimide and cyclohexyl mercaptan. In the production of synthetic rubber, CTP impedes the onset of vulcanization.

Formula
C14H15NO2S
Molecular Weight
261.339
Exact Mass
261.082
LogP
3.2014
PSA
62.68
Synonyms

Cyclohexyl N-Phthalimidyl Sulfide

VANTARD PVI

SANTOGARD(R) PVI 50

2-(cyclohexylthio)isoindoline-1,3-dione

N-(Cyclohexylthio)phthalimide

N-cyclohexylsulfanyl-phthalimide

santogardpvi-ds

SANTOGARD(R) PVI

Antiscorching Agent CTP

CTPI

Duslin P

santogardpvi

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Properties

Appearance & Physical State
White or light yellow powder crystal
Density
1.25~1.35g/cm3
Boiling Point
422.6ºC at 760 mmHg
Melting Point
90ºC
Flash Point
209.4ºC
Refractive Index
1.545
Vapor Pressure
0.000308mmHg at 25°C

Safety Info

RTECS
TI4290000
Safety Statements
S26; S36/37/39
Risk Statements
R36/37/38
HS Code
2930909090

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 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Cyclohexylthiophthalimide

1.2 Other means of identification

Product number -
Other names santogardpvi

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Fillers,Process regulators
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

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)

H317 May cause an allergic skin reaction

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

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

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
Cyclohexylthiophthalimide Cyclohexylthiophthalimide 17796-82-6 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

no data available

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

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

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

5.2 Specific hazards arising from the chemical

no data available

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 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 White or light yellow powder crystal
Colour Off-white solid
Odour no data available
Melting point/ freezing point 95°C(lit.)
Boiling point or initial boiling point and boiling range 146°C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 36°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water, 10.8 mg/L at 20°C; 18 mg/L at 23°C; 22 mg/L at 25°C
Partition coefficient n-octanol/water (log value) log Kow = 3.66 at 25°C
Vapour pressure 0.000308mmHg at 25°C
Density and/or relative density 1.25~1.35g/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

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /nitrogen oxide and hydrogen chloride/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 206 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

no data available

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 sunfish, standard length 3.8 cm) 1.5 mg/L/24 hr; 1.2 mg/L/48 hr, 96 hr; static, temperature 22°C, dissolved oxygen 0.4-8.3 mg/L, pH 6.8-7.3, water hardness (CaCO3) 255 ppm.
  • Toxicity to daphnia and other aquatic invertebrates: EC50 Daphnia magna (immobilization) 32 mg/L/48 hr, 24 hr (95% confidence interval: 22-46 mg/L) /Conditions of bioassay not specified in source examined
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

Soil microorganisms were found to not colonize on N-(cyclohexylthio)phthalimide in experiments using soil burial techniques(1). N-(Cyclohexylthio)phthalimide was found to degrade 99%+ after 160 hours in a semi-continuous activated sludge test (primary biodegradation) using adapted sewage(2). Ultimate biodegradation by a shake flask test showed 3.4% of the theoretical CO2 evolution after 32 days(2). N-(Cyclohexylthio)phthalimide was found to inhibit nitrification in wastewater(3).

12.3 Bioaccumulative potential

An estimated BCF of 130 was calculated for N-(cyclohexylthio)phthalimide(SRC), using a log Kow of 3.66(4) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC); however, N-(cyclohexylthio)phthalimide is expected to undergo rapid hydrolysis in aquatic environments(4). A hydrolysis half-life of 23.3 hours at pH 7 and 25°C has been reported for N-(cyclohexylthio)phthalimide(4).

12.4 Mobility in soil

The Koc of N-(cyclohexylthio)phthalimide is estimated as 2,300(SRC), using a log Kow of 3.66(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that N-(cyclohexylthio)phthalimide is expected to have slight mobility in soil. N-(Cyclohexylthio)phthalimide would be expected to hydrolyze in moist soil; a hydrolysis half-life of 23.3 hours at pH 7 and 25°C has been reported for N-(cyclohexylthio)phthalimide(1).

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: UN3080 IMDG: UN3080 IATA: UN3080

14.2 UN Proper Shipping Name

ADR/RID: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S. or ISOCYANATE SOLUTION, TOXIC, FLAMMABLE, N.O.S.
IMDG: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S. or ISOCYANATE SOLUTION, TOXIC, FLAMMABLE, N.O.S.
IATA: ISOCYANATES, TOXIC, FLAMMABLE, N.O.S. or ISOCYANATE SOLUTION, TOXIC, FLAMMABLE, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

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
Cyclohexylthiophthalimide Cyclohexylthiophthalimide 17796-82-6 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 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.
MSDS
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  N-(Cyclohexylthio)phthalimide      Revision number: 6    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        N-(Cyclohexylthio)phthalimide    
    
  Revision number:        6    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Acute toxicity (Oral)        Category 5    
    Category 2A
  Serious eye damage/eye irritation
  Skin sensitization        Category 1    
    Lung
  Specific target organ toxicity
  - Repeated exposure [Category 2]
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
    May be harmful if swallowed
  Hazard statements
    Causes serious eye irritation
    May cause an allergic skin reaction
    May cause damage to organs through prolonged or
    repeated exposure : Lung
  Precautionary statements:
    Do not breathe dust/fume/gas/mist/vapours/spray.
  [Prevention]
    Contaminated work clothing should not be allowed out of the workplace.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,    
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    Wash hands thoroughly after handling.
    If skin irritation or rash occurs: Get medical advice/attention.
    Wash contaminated clothing before reuse.
    Get medical advice/attention if you feel unwell.
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.
  N-(Cyclohexylthio)phthalimide

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        N-(Cyclohexylthio)phthalimide    
  Percent:        >98.0%(N)    
  CAS Number:        17796-82-6    
  Synonyms:        Cyclohexyl N-Phthalimidyl Sulfide    
  Chemical Formula:        C14H15NO2S    

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Be careful not to let it flow into rivers, etc., since adverse effects on the environment
    are concerned.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
    Comply with laws.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  N-(Cyclohexylthio)phthalimide

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
    Crystal- Powder
  Form:
  Colour:        White - Slightly pale yellow    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:91°C
  Boiling point/range:        No data available    
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        No data available    
  Solubility(ies):
  [Water]        Insoluble    
  [Other solvents]
  Soluble:        Methanol    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulfur oxides
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        orl-mus LD50:5100 mg/kg    
    orl-rat LD50:2600 mg/kg
    orl-rbt LD50:4 g/kg
    skn-rbt LD50:>5 g/kg
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: dnd-hmn-fbr 5 mg/L
    dni-hmn-fbr 2 mg/L
    oms-hmn-fbr 12 mg/L
  Carcinogenicity:        orl-rat TDLo:365 g/kg/2Y-C    
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
  RTECS Number:        TI4290000    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  N-(Cyclohexylthio)phthalimide

Section 12. ECOLOGICAL INFORMATION
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
  Soil adsorption (Koc):        No data available    
    No data available
  Henry's Law
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
    Does not correspond to the classification standard of the United Nations
  Hazards Class:
  UN-No:        Not listed    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Downstream Product

Related Compound Information