pentan-2-one
CAS No.: 107-87-9 Formula: C5H10O Molecular Weight: 86.13230
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pentan-2-one

CAS No.: 107-87-9 Formula: C5H10O Molecular Weight: 86.13230
Suppliers: All (51) China Suppliers (51) Price Available (8) Contractor (2)

Description

2-Pentanone has been seen to inhibit the production of prostagladin and cyclooxygenase-2 (COX-2) in human colon cancer cells. 2-Pentanone can be found in food such as banana and carrot.

Basic Info

Chemical Name pentan-2-one
Synonyms

Methyl Propyl Ketone; Methyl N-Propargylanthranilate; n-propyl methyl ketone; methyl n-propyl ketone; 2-Pentanone;

CAS No. 107-87-9
Molecular Formula C5H10O
Molecular Weight 86.13230
PSA 17.07000
LogP 1.37550

Properties

Appearance & Physical State clear colorless liquid with the odor of fingernail polish
Density 0.8095
Boiling Point 100-103ºC
Melting Point -78ºC
Flash Point 7ºC
Refractive Index 1.389-1.391
Water Solubility 43 g/L (20 ºC)
Stability Stable. Highly flammable - note low flashpoint. Incompatible with strong bases, oxidizing agents, reducing agents.
Storage Condition Flammables area
Vapor Pressure 27 mm Hg ( 20 °C)

Safety Info

RTECS SA7875000
Hazard Class 3
Safety Statements S16-S26-S37/39
HS Code 2942000000
WGK Germany 1
Packing Group II
RIDADR UN 1249
Risk Statements R11; R22; R36/37/38
Hazard Codes F
Hazard Declaration H225; H302; H319
Symbol GHS02, GHS07
Caution Statement P210; P301 + P312 + P330; P305 + P351 + P338; P370 + P378; P403 + P235
Signal Word Danger
SDS Version: 1.0 Expand

SDS Version: 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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name pentan-2-one

1.2 Other means of identification

Product number -
Other names Methyl Propyl Ketone

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 XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
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 2

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H302 Harmful if swallowed

H319 Causes serious eye 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.

P264 Wash ... thoroughly after handling.

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

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.

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

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

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

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
pentan-2-one pentan-2-one 107-87-9 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. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower.

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. Do NOT induce vomiting. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)

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

INHALATION. Symptoms: Cough. Dizziness. Drowsiness. Dullness. Headache. Sore throat. First aid: Fresh air, rest. Refer for medical attention. SKIN: Symptoms: Dry skin. Redness. First aid: Remove contaminated clothes. Rinse skin with plenty of water or shower. 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: Symptoms: Abdominal pain. Nausea. First aid: Rinse mouth. Do NOT induce vomiting. 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

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. Behavior in Fire: Flashback along vapor trail may occur. (USCG, 1999)

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

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. Do NOT wash away into sewer.

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. Establish forced ventilation to keep levels below explosive limit. Absorb liquids in vermiculite, dry sand, earth, peat, carbon, or similar material and deposit in sealed containers. Keep this chemical out of a confined space ... because of the possibility of an explosion ... 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.Store in tightly closed containers in a cool, well ventilated area away from oxidizers. Where possible, automatically pump liquid from drums or other storage containers to process containers. Sources of ignition such as smoking and open flames are prohibited where this chemical is handled, used or stored. Metal containers involving the transfer of 5 gallons or more of this chemical should be grounded and bonded. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only non-sparking tools and equipment, especially when opening and closing containers of this chemical. Wherever this chemical is used, handled, manufactured, or stored, use explosion-proof electrical equipment and fittings.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hr Time-Weighted Avg: 150 ppm (530 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 colorless liquid with the odor of fingernail polish
Colour Colorless liquid
Odour Characteristic acetone-like odor
Melting point/ freezing point -45°C(lit.)
Boiling point or initial boiling point and boiling range 101-105°C(lit.)
Flammability Class IB Flammable Liquid: Fl.P. below 22.78°C and BP at or above 37.78°C.Highly flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.5% by volume; Upper flammable limit: 8.2% by volume
Flash point 12°C
Auto-ignition temperature 505°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.473 cp at 25°C
Solubility In water:43 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow = 0.91
Vapour pressure 27 mm Hg ( 20 °C)
Density and/or relative density 0.809g/mLat 25°C(lit.)
Relative vapour density 3 (Relative to 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

A highly flammable liquid. A very dangerous fire hazard when exposed to heat or flame ...The vapour mixes well with air, explosive mixtures are easily formed. As a result of flow, agitation, etc., electrostatic charges can be generated.METHYL PROPYL KETONE is incompatible with oxidizing agents, strong bases and reducing agents. Reacts violently with bromine trifluoride .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Above flash point explosive vapor/air mixtures may be formed. Reacts violently with strong oxidizers, brome trifluoride, strong bases, amines, and isocyanates.

10.6 Hazardous decomposition products

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

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 3.73 g/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 Pimephales promelas (Fathead minnow, age 32 days, mean length 18.4 mm, mean weight 0.095 g) 1240 mg/L/96 hr (95% confidence limit: 1190-1290 mg/L); flow through, 24.4°C, pH 7.7, dissolved oxygen 7.2 mg/L, hardness 44.5 mg/L CaCO3, alkalinity 42.6 mg/L CaCO3 /97% purity
  • 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: In a screening test designed to simulate biodegradation in a polluted river, the 5 day theoretical BOD for 2-pentanone was 43%(1). A 1.8% theoretical BOD was measured for 2-pentanone in an activated sludge inoculum over a 24 hour incubation period(2). 2-Pentanone was biodegraded by microorganisms isolated from soil and sludge(3).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for 2-pentanone(SRC), using a log Kow of 0.91(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 2-pentanone is estimated as 75(SRC), using a log Kow of 0.91(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-pentanone is expected to have high mobility in soil(SRC).

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: UN1249 IMDG: UN1249 IATA: UN1249

14.2 UN Proper Shipping Name

ADR/RID: METHYL PROPYL KETONE
IMDG: METHYL PROPYL KETONE
IATA: METHYL PROPYL KETONE

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
pentan-2-one pentan-2-one 107-87-9 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 Not 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 Expand
1H NMR : 90 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 90 MHz in CDCl3

Collapse

C5 H10 O 0.04 ml : 0.5 ml CDCl3
2-pentanone

Assign. Shift(ppm)
A 2.40
B 2.13
C 1.60
D 0.93

IR : liquid filmExpand
Mass Expand
Raman : 4880 A,200 M,liquidExpand
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