84-76-4 structure, C26H42O4

Dinonyl phthalate

CAS No.

84-76-4

Formula:

C26H42O4

Basic Info

Dinonyl Phthalate is a Phthalate derivative and an organic extract contaminant found in drinking water, which was shown to activate Nrf-2-Mediated Antioxidant response in human cell line.

Formula
C26H42O4
Molecular Weight
418.609
Exact Mass
418.308
LogP
7.5014
PSA
52.6
Synonyms

1,2-dinonyl benzene-1,2-dicarboxylate

DINONYL PHTHALATE

Unimoll DN

bisoflexdnp

Phthalsaeure-dinonylester

di-n-decyl phthalate

1,2-BENZENEDICARBOXYLICACID, 1,2-DINONYL ESTER

bisolflex91

PHTHALIC ACID DI-N-NONYL ESTER

1,2-benzenedicarboxylic acid,dinonyl ester

Bisoflex 91

1,2-Benzenedicarboxylic acid, dinonyl ester

phthalic acid dinonyl ester

Phthalic acid, bis-nonyl ester

Ceneg

Nonyl phthalate

Di-n-nonyl phthalate

dinonylphthalate

DI-N-NONYL PHTHALATE-D4

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Properties

Appearance & Physical State
clear yellow-brown oily liquid
Density
0.97
Boiling Point
279-287ºC
Melting Point
162 - 163ºC
Flash Point
216ºC
Refractive Index
1.4825-1.4845
Water Solubility
<1 g/L (20 ºC)
Stability
Stable under normal temperatures and pressures.
Storage Condition
Keep away from heat, sparks, and flame. Store in a tightly closed container. Keep from contact with oxidizing materials. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Info

RTECS
TI1800000
Safety Statements
S24/25
WGK Germany
1
HS Code
2917330000

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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Dinonyl phthalate

1.2 Other means of identification

Product number -
Other names Unimoll DN

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Plasticizers,Plating agents and surface treating agents,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

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

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
Dinonyl phthalate Dinonyl phthalate 84-76-4 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

Moderately toxic by ingestion. (USCG, 1999)

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

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fire Extinguishing Agents Not to Be Used: Water may be ineffective. Fire Extinguishing Agents: Alcohol foam, dry chemical, carbon dioxide. (USCG, 1999)

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 clear yellow-brown oily liquid
Colour Colorless liquid
Odour no data available
Melting point/ freezing point -106°C(lit.)
Boiling point or initial boiling point and boiling range 245°C/5mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 220°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity 112 cP at 20°C
Solubility In water:<1 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 9.52 (est)
Vapour pressure 5.14X10-7 mm Hg at 25°C (est)
Density and/or relative density 0.97
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

CombustibleDINONYL PHTHALATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. Can generate electrostatic charges [Handling Chemicals Safely, 1980. p. 250].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomp it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 2.00 g/kg /From table/
  • 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: no data available
  • 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

AEROBIC: Dinonyl phthalate, added to a semi-continuous activated sludge apparatus at 5, 10, and 20 mg added per 24 hr, underwent 52%, 48%, and 54% degradation, respectively, under aerobic conditions(1,2). When dinonyl phthalate was incubated with pure cultures of Pseudomonas acidovorans under aerobic conditions, the initial degradation products were phthalic acid and nonyl alcohol(3). Di(heptyl,nonyl,undecyl) phthalate had a half-life of 6 to 8 days in river die-away tests(4). In active microcosms containing lake water and sediment, 40 to 48% of (14)C-di(heptyl,nonyl,undecyl)phthalate radioactivity was evolved as carbon dioxide over a 41 day period; after six weeks no residual (14)C-di(heptyl,nonyl,undecyl) phthalate was found in the water column and only 2 to 6% was associated with sediments(4). In semi-continuous activated sludge tests, a primary degradation half-life of <1 day at an addition rate of 5 to 200 mg/L per 24-hour cycle was observed for di(heptyl,nonyl,undecyl) phthalate(4). In shake flask studies using an acclimated bacterial inoculum, an ultimate biodegradation half-life of 5 days was observed for di(heptyl,nonyl,undecyl) phthalate at an initial concentration of 20 mg/L(4). 98% Biodegradation of di(heptyl,nonyl,undecyl) phthalate was observed over a period of 28 days in shake flask tests using an acclimated inoculum consisting of soil and sewage microorganisms(5).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for dinonyl phthalate(SRC), using an estimated log Kow of 9.52(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dinonyl phthalate can be estimated to be 6.6X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that dinonyl phthalate is expected to be immobile in soil. In sterile microcosms containing lake water and sediment, approximately 80% of di(heptyl,nonyl,undecyl) phthalate partitioned to sediment(3).

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: UN3295 IMDG: UN3295 IATA: UN3295

14.2 UN Proper Shipping Name

ADR/RID: HYDROCARBONS, LIQUID, N.O.S.
IMDG: HYDROCARBONS, LIQUID, N.O.S.
IATA: HYDROCARBONS, LIQUID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

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
Dinonyl phthalate Dinonyl phthalate 84-76-4 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) 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 12, 2017
Revision Date Aug 12, 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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Name: Dinonyl Phthalate Material Safety Data Sheet
Synonym: 1,2-Benzenedicarboxylic acid, dinonyl ester; Di-n-nonyl phthalate; Dinonyl-1,2-benzenedicarboxylate
CAS: 84-76-4
Section 1 - Chemical Product   MSDS Name:Dinonyl Phthalate Material Safety Data Sheet
Synonym:1,2-Benzenedicarboxylic acid, dinonyl ester; Di-n-nonyl phthalate; Dinonyl-1,2-benzenedicarboxylate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
84-76-4 Dinonyl phthalate >97 201-560-0
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water with caution and in flooding amounts. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Water may be ineffective. Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep away from heat, sparks, and flame. Store in a tightly closed container. Keep from contact with oxidizing materials. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 84-76-4: United Kingdom, WEL - TWA: 5 mg/m3 TWA United Kingdom, WEL - STEL: 15 mg/m3 STEL Germany: 5 mg/m3 TWA (all isomers except Diisononylphthalate) Russia: 1 mg/m3 TWA Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: yellow-brown - clear, oily
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 279-287 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 216 deg C ( 420.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Insoluble in water.
Specific Gravity/Density: 0.97
Molecular Formula: C26H42O4
Molecular Weight: 418.61

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 84-76-4: TI1800000 LD50/LC50:
CAS# 84-76-4: Oral, mouse: LD50 = 21500 mg/kg.
Carcinogenicity:
Dinonyl phthalate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 84-76-4: No information available.
Canada
CAS# 84-76-4 is listed on Canada's DSL List.
CAS# 84-76-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 84-76-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Analysis Methods

Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
2876.
Temperature Control
250.
Method
isothermal
Comments
42. m/0.3 mm/0.39 μm, He
Reference
Friocourt, M.P.Berthou, F.Picart, D.Dreano, Y.Floch, H.H.Glass Capillary Column Gas Chromatography of Phthalate EstersJ. Chromatogr.1979, 172, 1, 261-271.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.
Retention index
2876.
Temperature Control
Method
custom temperature program
Comments
Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Reference
Waggott, A.Davies, I.W.Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf.

Synthesis Route

Related Compound Information