acetophenone
CAS No.: 98-86-2 Formula: C8H8O Molecular Weight: 120.14900
Search Suppliers

acetophenone

CAS No.: 98-86-2 Formula: C8H8O Molecular Weight: 120.14900
Suppliers: All (202) China Suppliers (131) Price Available (22) Contractor (12)

Description

Acetophenone is the organic compound with the formula C6H5C(O)CH3 (also represented by the letters PhAc or BzMe), is the simplest aromatic ketone. This colourless, viscous liquid is a precursor to useful resins and fragrances.

Basic Info

Chemical Name acetophenone
Synonyms

Ethanone,1-phenyl; Phenyl methyl ketone; ACETOPHENON; Acetophenone; Ethanone, 1-phenyl-; acetylbenzene; Methyl phenyl ketone; 1-phenylethanone; Expand

CAS No. 98-86-2
Molecular Formula C8H8O
Molecular Weight 120.14900
PSA 17.07000
LogP 1.88920

Properties

Appearance & Physical State clear to light yellow liquid
Density 1.0266
Boiling Point 202ºC
Melting Point 19.6ºC
Flash Point 77ºC
Refractive Index 1.5315-1.534
Stability Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.
Storage Condition 2-8ºC

Safety Info

RTECS AM5250000
Safety Statements S26
HS Code 2914391000
Packing Group I; II; III
WGK Germany 1
Risk Statements R22; R36
Hazard Codes Xn
SDS 1.0 Expand

SDS 1.0

Collapse
Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name acetophenone

1.2 Other means of identification

Product number -
Other names Ethanone,1-phenyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Acetophenone is used in perfumery as a fragrance ingredient in soaps, detergents, creams, lotions, and perfumes; as a flavoring agent in foods, nonalcoholic beverages, and tobacco; as a specialty solvent for plastics and resins; as a catalyst for the polymerization of olefins; and in organic syntheses as a photosensitizer.
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

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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

Response

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

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
acetophenone acetophenone 98-86-2 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. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

No toxicity expected from inhalation or ingestion except slight narcotic effect. Liquid can cause eye and skin irritation on contact. (USCG, 1999)

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

Call for medical aid. ... Remove contaminated clothing and shoes. Flush affected areas with plenty of water. IF IN EYES, hold eyelids open, and flush with plenty of water. IF SWALLOWED and victim is CONSCIOUS, have victim drink water, or milk.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Extinguish with water, foam, dry chemical, 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. 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

Absorb on paper. Evaporate on a glass or iron dish in hood. Burn the paper.

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

Separated from strong oxidants. Ventilation along the floor.In general materials... toxic as stored or which can decompose into toxic components... should be stored in cool... ventilated place, out of... sun, away from... fire hazard... be periodically inspected and monitored. Incompatible materials should be isolated.

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 to light yellow liquid
Colour Liquid. Forms laminer crystals at low temperature.
Odour SWEET, PUNGENT ODOR OF ACACIA
Melting point/ freezing point 19.6ºC
Boiling point or initial boiling point and boiling range 202ºC
Flammability Combustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 77ºC
Auto-ignition temperature 570°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 2.28 cP @ 11.9°C; 1.59 cP @ 23.5°C; 1.617 cP @ 25°C; 1.246 cP @ 50°C; 0.734 cP @ 80°C
Solubility Slightly sol in concn sulfuric acid; freely sol in alc, chloroform, ether, fatty oils, glycerol.
Partition coefficient n-octanol/water (log value) log Kow= 1.58
Vapour pressure 0.397 mm Hg @ 25°C
Density and/or relative density 1.0266
Relative vapour density 4.1 (Air=1)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under normal laboratory storage conditions.

10.3 Possibility of hazardous reactions

... /It/ does not form flammable mixtures with air at room temperature.ACETOPHENONE reacts with many acids and bases liberating heat and flammable gases (e.g., H2). Reacts with many oxidizing agents. Reacts with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. The amount of heat in these reactions may be sufficient to start a fire in the unreacted portion. Incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides.

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 acrid smoke and fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat (male Wistar) oral 3.0 g/kg (14 day range finding test)
  • 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

Cancer Classification: Group D Not Classifiable as to Human Carcinogenicity

Reproductive toxicity

No information is available on the reproductive or developmental effects of acetophenone in humans. In one study of pregnant rats exposed dermally, no effects on reproduction or development were noted.

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) 162 mg/l/96 hr (confidence limit not reliable), flow-through bioassay with measured concentrations, 24.6°C, dissolved oxygen 7.1 mg/l, hardness 40.7 mg/l calcium carbonate, alkalinity 35.0 mg/l calcium carbonate, and pH 7.83
  • 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

Acetophenone, present at 100 mg/l, achieved 61-68% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(1). Other screening studies give similar results and acetophenone is confirmed to be biodegradable(2-4). Acetophenone achieved 20-32% of its theoretical BOD using a sewage inoculum over a 5 day incubation period(2,3). Acetophenone reached 59% of its theoretical BOD using acclimated mixed microbial cultures and a 5 day incubation period(4). The biodegradation half-lives of acetophenone in groundwater, river water and lake water were 32, 8 and 4.5 days, respectively(5,6).

12.3 Bioaccumulative potential

An estimated BCF of 0.5 was calculated for acetophenone(SRC), using a log Kow of 1.58(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 acetophenone was measured as 10, using an agricultural soil obtained from Northeastern China(1). According to a classification scheme(2), this Koc value suggests that acetophenone is expected to have very 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: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

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
acetophenone acetophenone 98-86-2 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 20, 2017
Revision Date Aug 20, 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

C8 H8 O 0.04 ml : 0.5 ml CDCl3
acetophenone

Assign. Shift(ppm)
A 7.94
B 7.68 to 7.32
C 2.585

IR : CCl4 solutionExpand
Mass Expand
ESR : ANION RADICAL, ELECTROLYTIC REDUCTION IN DMFExpand
Recommended Suppliers
More Suppliers>>
Other items you might be interested in
Category in MOLBASE