Methyl vinyl ketone

CAS No. 78-94-4

Formula: C4H6O
Basic Info

Methyl vinyl ketone (MVK, IUPAC name: butenone) is the organic compound with the formula CH3C(O)CH=CH2. It is a reactive compound classified as an enone, in fact the simplest example thereof. It is a colorless, flammable, highly toxic liquid with a pungent odor. It is soluble in water and polar organic solvents. It is a useful intermediate in the synthesis of other compounds.

Formula
C4H6O
Molecular Weight
70.0898
Exact Mass
70.0419
LogP
0.7614
PSA
17.07
Synonyms

But-3-en-2-one

Vinyl methyl ketone

Butenon

Methylene acetone

3-Buten-2-one

2-Butenone

Butenone

metyl vinyl ketone

Buten-2-one

MVK

1-Buten-3-one

expand collapse

Properties
Appearance & Physical State
A colorless, flammable, highly toxic liquid with a pungent odor
Density
0.8407 g/cm3
Boiling Point
80ºC
Melting Point
-7ºC
Flash Point
-7ºC
Refractive Index
1.41-1.412
Water Solubility
MISCIBLE
Soluble
Soluble in water and polar organic solvents
Stability
Stable. Incompatible with strong bases, strong oxidizing agents, strong reducing agents. Heat and light sensitive. May undergo autopolymerization. Highly flammable. Refrigerate.
Storage Condition
2-8ºC
Vapor Density
1.3 (vs air)
Vapor Pressure
310 mm Hg ( 55 °C)
Safety Info
RTECS
EM9800000
Safety Statements
S16-S36/37/39-S38-S45
WGK Germany
3
Risk Statements
R11; R26/28; R34
RIDADR
UN 1251
Hazard Class
6.1
Packing Group
I
Hazard Codes
MSDS
SDS 1.0
expand 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 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name buten-2-one

1.2 Other means of identification

Product number -
Other names but-3-en-2-one

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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 2

Acute toxicity - Oral, Category 2

Acute toxicity - Dermal, Category 1

Skin corrosion, Category 1B

Skin sensitization, Category 1

Acute toxicity - Inhalation, 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

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H300 Fatal if swallowed

H310 Fatal in contact with skin

H314 Causes severe skin burns and eye damage

H317 May cause an allergic skin reaction

H330 Fatal if inhaled

H410 Very toxic to aquatic life with long lasting effects

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.

P262 Do not get in eyes, on skin, or on clothing.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

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

P272 Contaminated work clothing should not be allowed out of the workplace.

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

P284 [In case of inadequate ventilation] wear respiratory protection.

P273 Avoid release to the environment.

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+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P310 Immediately call a POISON CENTER/doctor/…

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P363 Wash contaminated clothing before reuse.

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

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

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P320 Specific treatment is urgent (see ... on this label).

P391 Collect spillage.

Storage

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

P405 Store locked up.

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

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
buten-2-one buten-2-one 78-94-4 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

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

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. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

This material is readily absorbed through the skin, causing general poisoning, similar to other ketones; inhalation has central nervous system depressant effects. It is irritating to mucous membranes and respiratory tract and to the skin; it is a lachrymator and can cause eye injury. (EPA, 1998)

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

Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . For contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) 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. Administer activated charcoal ... . /Ketones and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use dry chemical, "alcohol resistant" foam, carbon dioxide, or water spray. Water may be ineffective. Use water spray to keep fire-exposed containers cool. fight fire from protected location or maximum possible distance. Approach fire from upwind to avoid hazardous vapors and toxic decomp products.

5.2 Specific hazards arising from the chemical

Vapors form flammable mixtures with air, and may travel a considerable distance to a source of ignition and flash back. Polymerization may take place in containers, possibly with violent rupture of containers. Upon exposure to heat or flame, it emits toxic and irritating fumes. Container may explode in heat of fire. Vapor explosion and poison hazard indoors, outdoors, or in sewers. Polymerizes on standing. Hazardous polymerization may occur. Avoid heat or sunlight. (EPA, 1998)

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

Remove all ignition sources. Personal protection: chemical protection suit including self-contained breathing apparatus. 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

Environmental considerations: air spill: Apply water spray or mist to knock down vapors. /Methyl vinyl ketone, stabilized/

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. Cool. Keep in the dark. Separated from strong reducing agents, strong oxidants and strong bases. Store only if stabilized.3-Buten-2-one can only be stored in stabilized form at room temperature.

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 colourless liquid
Colour Colorless liquid
Odour Pungent odor
Melting point/ freezing point -7ºC
Boiling point or initial boiling point and boiling range 80ºC
Flammability Highly flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 2.1% by volume; Upper flammable limit: 15.6% by volume
Flash point -7ºC
Auto-ignition temperature 490.56°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.807 Cp at 70 deg F
Solubility In water:MISCIBLE
Partition coefficient n-octanol/water (log value) log Kow = 0.41 (est)
Vapour pressure 310 mm Hg ( 55 °C)
Density and/or relative density 0.864
Relative vapour density 1.3 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

POLYMERIZES ON STANDING

10.3 Possibility of hazardous reactions

Dangerous fire hazard when exposed to hest, flame, or oxidizers.The vapour is heavier than air and may travel along the ground; distant ignition possible. Vapours are uninhibited and may polymerize, causing blockage of vents.METHYL VINYL KETONE is incompatible with strong oxidizers and strong bases. It polymerizes spontaneously upon exposure to heat or sunlight. This polymerization may cause violent ruptures in containers. .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

... can react with oxidizing materials.

10.6 Hazardous decomposition products

... Combustion may produce irritants and toxic gases.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 23.3 mg/kg
  • Inhalation: LC50 Mouse inhalation 8 mg/cu m/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: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: EC50; Species: Pseudokirchneriella subcapitata (Green algae); Conditions: freshwater; static; Concentration: 120 ug/L (95% confidence limit: 0 to 610 ug/L) for 96 hr; Effect: population, biomass /active ingredient
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: A theoretical BOD of 10% was determined for methyl vinyl ketone over a 5-day incubation period using the French AFNOR test(1). Using a standard BOD technique with acclimated sewage inoculum, a theoretical BOD of 0% was measured for methyl vinyl ketone over a 5-day incubation period(2).

12.3 Bioaccumulative potential

An estimated BCF of 3.2 was calculated in fish for methyl vinyl ketone(SRC), using an estimated log Kow of 0.41(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 methyl vinyl ketone can be estimated to be 3.8(SRC). According to a classification scheme(2), this estimated Koc value suggests that methyl vinyl ketone is expected to have very 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: UN1251 IMDG: UN1251 IATA: UN1251

14.2 UN Proper Shipping Name

ADR/RID: METHYL VINYL KETONE, STABILIZED
IMDG: METHYL VINYL KETONE, STABILIZED
IATA: METHYL VINYL KETONE, STABILIZED

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: I IMDG: I IATA: I

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
buten-2-one buten-2-one 78-94-4 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 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 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
expand collapse
Name: Methyl vinyl ketone Material Safety Data Sheet
Synonym: 3-Buten-2-one, 1-Penten-3-one, MV
CAS: 78-94-4
Section 1 - Chemical Product   MSDS Name:Methyl vinyl ketone Material Safety Data Sheet
Synonym:3-Buten-2-one, 1-Penten-3-one, MV

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
78-94-4 Methyl vinyl ketone 99 201-160-6
Hazard Symbols: T+ F
Risk Phrases: 11 25 26 36/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Toxic if swallowed. Very toxic by inhalation.
Irritating to eyes and skin.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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. Flammable liquid and vapor.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

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. Clean up spills immediately, observing precautions in the Protective Equipment section.

Section 7 - HANDLING and STORAGE
  Handling:
Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame.
Storage:
Keep away from heat, sparks, and flame.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 78-94-4: Malaysia: 0.2 ppm Ceiling; 1 mg/m3 Ceiling Russia: 0.1 mg/m3 TWA Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure. Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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. Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Not available.
Color: Not available.
Odor: None reported.
pH: Not available.
Vapor Pressure: 130 mbar @ 28 C
Viscosity: Not available.
Boiling Point: 81 deg C
Freezing/Melting Point: 0 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8390g/cm3
Molecular Formula: H2CCHCOCH3
Molecular Weight: 70.09

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong bases - strong oxidizing agents - heat - light - strong reducing 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# 78-94-4: EM9800000 LD50/LC50:
CAS# 78-94-4: Inhalation, mouse: LC50 = 8 mg/m3/2H; Inhalation, mouse: LC50 = 16 mg/m3; Inhalation, rat: LC50 = 7 mg/m3/4H; Inhalation, rat: LC50 = 14 mg/m3; Oral, mouse: LD50 = 23300 ug/kg; Oral, mouse: LD50 = 33.5 mg/kg; Oral, rat: LD50 = 23100 ug/kg; Oral, rat: LD50 = 31 mg/kg.
Carcinogenicity:
Methyl vinyl ketone - 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: T+ F
Risk Phrases:
R 11 Highly flammable.
R 25 Toxic if swallowed.
R 26 Very toxic by inhalation.
R 36/38 Irritating to eyes and skin.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 78-94-4: No information available.
Canada
CAS# 78-94-4 is listed on Canada's DSL List.
CAS# 78-94-4 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 78-94-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum Predict 1H proton NMR
expand collapse
Analysis Methods
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Packed
Active Phase(℃)
Apiezon L
Retention index
551.
Temperature Control
120.
Method
isothermal
Comments
Celite 545
Reference
Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Packed
Active Phase(℃)
Apiezon L
Retention index
557.
Temperature Control
160.
Method
isothermal
Comments
Celite 545
Reference
Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
SPB-1
Retention index
557.
Temperature Control
Method
temperature ramp
Comments
30. m/0.32 mm/4. μm, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min
Reference
Larráyoz, P.Addis, M.Gauch, R.Bosset, J.O.Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheesesInt. Dairy J.2001, 11, 11-12, 911-926.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
568.2
Temperature Control
Method
temperature ramp
Comments
60. m/0.32 mm/1. μm, -50. C @ 2. min, 6. K/min; T<sub>end</sub>: 175. C
Reference
Helmig, D.Klinger, L.F.Guenther, A.Vierling, L.Geron, C.Zimmerman, P.Biogenic volatile organic compound emissions (BVOCs). I. Identifications from three continental sites in the U.S.Chemosphere1999, 38, 9, 2163-2187.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
568.
Temperature Control
Method
temperature ramp
Comments
60. m/0.32 mm/1. μm, -50. C @ 4. min, 6. K/min; T<sub>end</sub>: 180. C
Reference
Kaiser, E.W.Siegl, W.O.High resolution gas chromatographic determination of the atmospheric reactivity of engine-out hydrocarbon emissions from a spark-ignited engineJ. Hi. Res. Chromatogr.1994, 17, 4, 264-270.

Related Compound Information

PRODUCTS
Coming Soon
SUPPLIERS
Coming Soon
BRANDING
Coming Soon