isobutyraldehyde

CAS No. 78-84-2

Formula: C4H8O
Basic Info

Isobutyraldehyde is the chemical compound with the formula (CH3)2CHCHO. It is an aldehyde, isomeric with n-butyraldehyde (butanal). Isobutyraldehyde is manufactured, often as a side-product, by the hydroformylation of propene. Its odour is described as that of wet cereal or straw. It undergoes the Cannizaro reaction even though it has alpha hydrogen atom.

Formula
C4H8O
Molecular Weight
72.1057
Exact Mass
72.0575
LogP
0.8413
PSA
17.07
Synonyms

isobutyral

iso-C3H7CHO

Propanal, 2-methyl-

1-keto-2-methylpropane

isobutyric

FEMA 2220

2-Methylpropanal

valinealdehyde

methylpropanal

2-methylpropan-1-al

2-methyl-1-propanal

2-methyl-propionaldehyde

iso-Butanal

Isobutyraldehyde

Isobutaldehyde

isobutyric aldehyde

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Properties
Appearance & Physical State
clear liquid
Density
0.794
Boiling Point
63ºC
Melting Point
-65ºC
Flash Point
-24ºC
Refractive Index
1.371-1.374
Water Solubility
75 g/L (20 ºC)
Stability
Stable. Refrigerate. Highly flammable. Incompatible with strong oxidizing agents, strong bases, strong acids, strong reducing agents.
Storage Condition
2-8ºC
Vapor Density
2.5 (vs air)
Vapor Pressure
66 mm Hg ( 4.4 °C)
Safety Info
RTECS
NQ4025000
Safety Statements
S16-S29-S33-S9
WGK Germany
1
Risk Statements
R11; R22
HS Code
2912190090
RIDADR
UN 2045
Hazard Class
3
Packing Group
II
Hazard Codes
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 isobutyraldehyde

1.2 Other means of identification

Product number -
Other names Isobutaldehyde

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 2

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

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.

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.

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
isobutyraldehyde isobutyraldehyde 78-84-2 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

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

Vapor is irritating to the eyes and mucous membranes. (USCG, 1999)

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

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Aggressive airway management may be necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Anticipate seizures and treat if necessary ... . Monitor for shock and treat if necessary ... . Monitor for pulmonary edema and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline 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 ... . /Aldehydes and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

Behavior in Fire: Vapors are heavier than air and may travel considerable distance to a source of ignition and flash back. Fires are difficult to control due to ease of reignition. (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

Evacuate danger area! Consult an expert! Remove all ignition sources. Personal protection: protective clothing, protective gloves, safety goggles and filter respirator for organic vapours of low boiling point adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Do NOT wash away into sewer. Collect leaking liquid in sealable containers. Cover the spilled material with inert absorbent. Then store and dispose of according to local regulations.

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

Fireproof. Separated from strong oxidants, strong bases, strong acids and strong reducing agents. Well closed. Store in an area without drain or sewer access.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. 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 liquid
Colour Transparent, colorless liquid
Odour EXTREMELY SHARP
Melting point/ freezing point -65°C(lit.)
Boiling point or initial boiling point and boiling range 65°C
Flammability Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit % BY VOL; LOWER 1.6, UPPER 10.6
Flash point -25°C(lit.)
Auto-ignition temperature 196.11°C (USCG, 1999)
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.5382 cP @ 28.2°C
Solubility In water:75 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) 1.2
Vapour pressure 66 mm Hg ( 4.4 °C)
Density and/or relative density 0.794
Relative vapour density 2.5 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Oxidises slowly on exposure to air, forming isobutyric acid.

10.3 Possibility of hazardous reactions

A very dangerous fire hazard when exposed to heat, flame, or oxidizers.The vapour is heavier than air and may travel along the ground; distant ignition possible.ISOBUTYL ALDEHYDE can react vigorously with reducing agents, with oxidizing agents, strong bases and mineral acids. Can undergo exothermic self-condensation or polymerization reactions that are often catalyzed by acid. Generates flammable and/or toxic gases in combination with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Reacts slowly when exposed to air with air to give peroxides and other products. These reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by their products). The addition of stabilizers (antioxidants) retards autoxidation.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

CAN REACT VIGOROUSLY WITH REDUCING MATERIALS.

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 3.7 g/kg
  • Inhalation: LC50 Mouse inhalation 39,500 mg/cu m/2 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: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Using a sewage inocula and standard dilution water, isobutyraldehyde had a 5-day theoretical BOD of 66%(2). Isobutyraldehyde was found to be readily biodegradable in a screening study using activated sludge (more specific data were not reported)(2). In an anaerobic screening study simulating a biological treatment plant (digester sludge inocula), isobutyraldehyde experienced a 71% removal at retention times of 144-240 hr(3). In a screening study simulating an anaerobic lagoon (digester sludge inocula), isobutyraldehyde experienced a 76% removal at retention times of 240-2400 hr(3). Using a Warburg respirometer, an activated sludge seed, and a 24-hr incubation period, isobutyraldehyde had a theoretical BOD of 24.3% at an initial concn of 500 ppm(4). Isobutyraldehyde, present at 100 mg/l, reached 81% of its theoretical BOD in 2 weeks using an activated sludge inoculum at 30 mg/l and the Japanese MITI test(5).

12.3 Bioaccumulative potential

An estimated BCF of 1 was calculated for isobutyraldehyde(SRC), using a water solubility of 89,000 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 isobutyraldehyde is estimated as 8(SRC), using a water solubility of 8.9X10+4(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that isobutyraldehyde 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: UN2045 IMDG: UN2045 IATA: UN2045

14.2 UN Proper Shipping Name

ADR/RID: ISOBUTYRALDEHYDE (ISOBUTYL ALDEHYDE)
IMDG: ISOBUTYRALDEHYDE (ISOBUTYL ALDEHYDE)
IATA: ISOBUTYRALDEHYDE (ISOBUTYL ALDEHYDE)

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
isobutyraldehyde isobutyraldehyde 78-84-2 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 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
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Name: Isobutyraldehyde 99+% (GC) Material Safety Data Sheet
Synonym: 2-Methylpropionaldehyd
CAS: 78-84-2
Section 1 - Chemical Product   MSDS Name:Isobutyraldehyde 99+% (GC) Material Safety Data Sheet
Synonym:2-Methylpropionaldehyd

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
78-84-2 Isobutyraldehyde 99 201-149-6
Hazard Symbols: F
Risk Phrases: 11

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable.Stench.
Potential Health Effects
Eye:
Causes severe eye irritation.
Skin:
Causes severe skin irritation.
Ingestion:
Causes gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. Vapors may cause dizziness or suffocation.
Chronic:
Not available.

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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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. Vapors can travel to a source of ignition and flash back. Flammable liquid and vapor. Vapors may be heavier than air.
They can spread along the ground and collect in low or confined areas. Vapors may form an explosive mixture with air.
Extinguishing Media:
Use water fog, dry chemical, carbon dioxide, or regular foam. 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. Provide ventilation. Cover spill with sodium bisulfite. Add a small amount of water and mix. Scoop up and wash with excess water after 1 hour.
Then wash site with soap and water solution.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 78-84-2: Russia: 5 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: colorless
Odor: pungent odor
pH: Not available.
Vapor Pressure: 640 hPa @ 50 C
Viscosity: Not available.
Boiling Point: 64 deg C
Freezing/Melting Point: -65 deg C
Autoignition Temperature: 196 deg C ( 384.80 deg F)
Flash Point: -18 deg C ( -0.40 deg F)
Explosion Limits, lower: 1.6
Explosion Limits, upper: 10.6
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density: .7940g/cm3
Molecular Formula: C4H8O
Molecular Weight: 72.11

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases, alliphatic amines, aromatic amines.
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# 78-84-2: NQ4025000 LD50/LC50:
CAS# 78-84-2: Inhalation, mouse: LC50 = 39500 mg/m3/2H; Inhalation, mouse: LC50 = 39500 mg/m3/2H; Oral, rat: LD50 = 960 mg/kg; Oral, rat: LD50 = 3700 mg/kg; Skin, rabbit: LD50 = 7130 uL/kg.
Carcinogenicity:
Isobutyraldehyde - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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: F
Risk Phrases:
R 11 Highly flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 29 Do not empty into drains.
S 33 Take precautionary measures against static
discharges.
WGK (Water Danger/Protection)
CAS# 78-84-2: 1
Canada
CAS# 78-84-2 is listed on Canada's DSL List.
CAS# 78-84-2 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 78-84-2 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Spectrum
NMR Spectrum 1H NMR : parameter neat
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IR Spectrum IR : CCl4 solution
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Mass Spectrum Mass
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Raman Spectrum Raman : 4880 A,200 M,liquid
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