108-83-8 structure, C9H18O
2,6-Dimethyl-4-heptanone
CAS No.: 108-83-8 Formula: C9H18O Molecular Weight: 142.23900
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2,6-Dimethyl-4-heptanone

CAS No.:

108-83-8

Formula:

C9H18O

Molecular Weight: 142.23900
Suppliers: All (46) China Suppliers (46) Price Available (7) Contractor (4)

Description

Diisobutyl Ketone is a component of mint oil and L-carvone solutions for fungicidal and antigerminative treatment of bulbs and tubers.

Numbering system

MDL number MFCD00008940
EINECS number 203-620-1
BRN number 1743163
PubChem number 24863846
RTECS number MJ5775000

Properties

Appearance & Physical State

Clear liquid

Density

0.808

Boiling Point

165-170ºC

Melting Point

-46ºC

Flash Point

49ºC

Refractive Index

1.412-1.415

Water Solubility

0.05 g/100 mL

Stability

Stable. Flammable. Incompatible with strong oxidizing agents.

Storage Condition

Flammables area

Vapor Density

4.9 (vs air)

Vapor Pressure

1.7 mm Hg ( 20 °C)

Safety Info

RTECS

MJ5775000

Hazard Class

3

Safety Statements

S24

HS Code

2914190090

WGK Germany

1

Packing Group

III

RIDADR

UN 1157

Risk Statements

R10; R37

Hazard Codes

Xi

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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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,6-Dimethyl-4-heptanone

1.2 Other means of identification

Product number -
Other names DIISOBUTYL KETONE (DIBK): CP

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
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

Flammable liquids, Category 3

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

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

P271 Use only outdoors or in a well-ventilated area.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

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
2,6-Dimethyl-4-heptanone 2,6-Dimethyl-4-heptanone 108-83-8 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

Fresh air, rest. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Give a slurry of activated charcoal in water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Inhalation of vapor causes irritation of nose and throat. Ingestion causes irritation of mouth and stomach. Vaporirritates eyes. Contact with liquid irritates skin. (USCG, 1999)

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

INHALATION. Symptoms: Cough. Dizziness. Headache. Nausea. Sore throat. Vomiting. First aid: Fresh air, rest. Artificial respiration may be needed. Refer for medical attention. SKIN: Symptoms: Redness. Numbness. First aid: Remove contaminated clothes. Rinse and then wash skin with water and soap. EYES: Symptoms: Redness. Pain. First aid: First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then take to a doctor. INGESTION: First aid: Rinse mouth. Give a slurry of activated charcoal in water to drink. Refer for medical attention.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

In case of fire: keep drums, etc., cool by spraying with water. AFFF, alcohol-resistant foam, powder, carbon dioxide.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (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

Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Ventilate area of spill or leak. Absorb liquids in vermiculite, dry sand, earth, peat, carbon, or similar material and deposit in sealed containers. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable.

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

Fireproof. Separated from strong oxidants.MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMPOSE INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL, WELL VENTILATED PLACE, OUT OF THE DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED. IMCOMPATIBLE MATERIALS SHOULD BE ISOLATED.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 25 ppm (150 mg/cu m).

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 liquid
Colour WATER CLEAR LIQUID
Odour Peppermint odor
Melting point/ freezing point 144°C(lit.)
Boiling point or initial boiling point and boiling range 168°C
Flammability Class II Combustible Liquid: Fl.P. at or above 37.78°C and below 60°C.Flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 0.8% by volume @ 200 deg F (93°C); Upper flammable limit: 7.1% by volume @ 200 deg F (93°C)
Flash point 50°C(lit.)
Auto-ignition temperature 396.11°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.896 Cp at 70 deg F
Solubility In water:0.05 g/100 mL
Partition coefficient n-octanol/water (log value) log Kow = 2.56 (est)
Vapour pressure 1.7 mm Hg ( 20 °C)
Density and/or relative density 0.808
Relative vapour density 4.9 (vs air)
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

Flammable liquid when exposed to heat or flame ...DIISOBUTYL KETONE may attack some plastics. It reacts with oxidizers.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Reacts with oxidants. Attacks some forms of plastics.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral (female) 6933 mg/kg
  • Inhalation: LC50 Rat inhalation (male & female) >5 mg/L/4 hr
  • 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 Oncorhynchus mykiss (/Rainbow trout/) 140 mg/L/96 hr; semistatic, freshwater.
  • Toxicity to daphnia and other aquatic invertebrates: EC50 Daphnia magna (Water flea) 250 mg/L/48 hr; static; Effect: immobilization
  • Toxicity to algae: EC50 Selenastrum capricornutum (Algae) 100 mg/L/96 hr; biomass.
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Using standard BOD dilution techniques with acclimated microbial cultures, theoretical BODs of 37.4-46.7% were measured for diisobutyl ketone over 5-day incubation periods(1,2). Diisobutyl ketone had BODs of 4, 39, 57, and 88% of theoretical measured over 5, 10, 15, and 20 day incubation periods, respectively, using standard BOD dilution techniques and a non-acclimated sewage inoculum(3); theoretical BODs of 4, 9, and 18% were measured over 10, 15, and 20 day incubation periods, respectively, using a synthetic salt BOD dilution water and a non-acclimated sewage inoculum(3).

12.3 Bioaccumulative potential

An estimated BCF of 7 was calculated in fish for diisobutyl ketone(SRC), using a water solubility of 2,640 mg/L(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

The Koc of diisobutyl ketone is estimated as 57(SRC), using a water solubility of 2,640 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diisobutyl ketone is expected to have high mobility 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: UN1157 IMDG: UN1157 IATA: UN1157

14.2 UN Proper Shipping Name

ADR/RID: DIISOBUTYL KETONE
IMDG: DIISOBUTYL KETONE
IATA: DIISOBUTYL KETONE

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
2,6-Dimethyl-4-heptanone 2,6-Dimethyl-4-heptanone 108-83-8 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 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 10, 2017
Revision Date Aug 10, 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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108-83-8 NMR spectrum
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GC Analysis

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