111-36-4 structure, C5H9NO

n-butyl isocyanate

CAS No.

111-36-4

Formula:

C5H9NO

Basic Info

Butyl Isocyanate is a useful synthetic intermediate. It was used to prepare aspartic acid protease (hydroxyethyl)amine and (hydroxyethyl)urea pseudopeptide inhibitors. It was also used in the synthesis of monocyclic β-lactams as inhibitors of human cytomegalovirus protease.

Formula
C5H9NO
Molecular Weight
99.1311
Exact Mass
99.0684
LogP
1.1223
PSA
29.43
Synonyms

n-C4H9NCO

ISOCYANATOBUTANE

Butyl Isocyanate

n-bic

Butylisocyanat

n-butyl isocynate

N-butyl isocyanate

1-Isocyanatobutane

Butane, 1-isocyanato-

BIC

n-butyl isocyanante

butyl-isocyanate

1-BUTYL ISOCYANATE

Isocyanic Acid Butyl Ester

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Properties

Appearance & Physical State
Colorless to faintly yellow liquid
Density
0.88
Boiling Point
115ºC
Melting Point
85.5ºC
Flash Point
26ºC
Refractive Index
n20/D 1.406(lit.)
Storage Condition
2-8ºC
Vapor Density
3 (vs air)
Vapor Pressure
10.6 mm Hg ( 20 °C)

Safety Info

RTECS
NQ8250000
Safety Statements
S23-S26-S28-S36/37/39-S45
WGK Germany
1
Risk Statements
R11; R21/22; R26; R34; R37; R42/43
HS Code
2929109000
RIDADR
UN 2485
Hazard Class
6.1(a)
Packing Group
I
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 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name n-butyl isocyanate

1.2 Other means of identification

Product number -
Other names Butyl Isocyanate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Intermediates
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 4

Skin corrosion, Category 1B

Skin sensitization, Category 1A

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 1

Specific target organ toxicity – single exposure, Category 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

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

H314 Causes severe skin burns and eye damage

H317 May cause an allergic skin reaction

H330 Fatal if inhaled

H335 May cause respiratory irritation

H412 Harmful 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.

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

P330 Rinse mouth.

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.

P310 Immediately call a POISON CENTER/doctor/…

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

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

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

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).

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

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
n-butyl isocyanate n-butyl isocyanate 111-36-4 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 immediately 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

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

If swallowed

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer immediately for medical attention.

4.2 Most important symptoms/effects, acute and delayed

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Bromoacetates and chloroacetates are extremely irritating/lachrymators. Reaction with water or moist air will release toxic, corrosive or flammable gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Fire will produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

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

Noncardiogenic pulmonary edema and bronchospasm are the most immediate serious clinical consequences of isocyanate exposure. Markedly symptomatic patients should receive oxygen, ventilatory support, and an intervenors line. Treatment for asthma includes inhaled sympathomimetics (salbutamol, metaproterenol), intravenous theophylline, parenteral sympathomimetics (epinephrine, terbutaline), and steroids. /Isocyanates/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Persons involved in fighting fires should wear a self-contained breathing apparatus with a full facepiece operated in a pressure-demand or other positive pressure mode. ... /Methyl isocyanate/

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapors may travel to source of ignition and flash back. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Substance will react with water (some violently) releasing flammable, toxic or corrosive gases and runoff. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water. (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

Evacuate danger area! Ventilation. Remove all ignition sources. Personal protection: gas-tight 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. Do NOT wash away into sewer. Do NOT let this chemical enter the environment.

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 and food and feedstuffs. Cool. See Chemical Dangers. Store in an area without drain or sewer access.

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 Colorless to faintly yellow liquid
Colour Colorless liquid
Odour no data available
Melting point/ freezing point 315°C(lit.)
Boiling point or initial boiling point and boiling range 115°C
Flammability Highly flammable. Heating will cause rise in pressure with risk of bursting.
Lower and upper explosion limit / flammability limit no data available
Flash point 19°C(lit.)
Auto-ignition temperature 425°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water, 1.4X10+3 mg/L at 25°C (est)
Partition coefficient n-octanol/water (log value) log Kow = 2.26 (est)
Vapour pressure 10.6 mm Hg ( 20 °C)
Density and/or relative density 0.88
Relative vapour density 3 (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

The vapour mixes well with air, explosive mixtures are easily formed.Isocyanates and thioisocyanates are incompatible with many classes of compounds, reacting exothermically to release toxic gases. Reactions with amines, aldehydes, alcohols, alkali metals, ketones, mercaptans, strong oxidizers, hydrides, phenols, and peroxides can cause vigorous releases of heat. Acids and bases initiate polymerization reactions in these materials. Some isocyanates react with water to form amines and liberate carbon dioxide. Base-catalysed reactions of isocyanates with alcohols should be carried out in inert solvents. Such reactions in the absence of solvents often occur with explosive violence [Wischmeyer 1969].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

Energy of decomposition (in range 160 to 450°C) measured as 0.55 kJ/g.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Guinea pig oral 250 mg/kg
  • Inhalation: LC50 Rat inhalation 0.059 mg/L/4 hr /99.5% purity/
  • 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

Isocyanates undergo rapid hydrolysis under environmental conditions with half-lives of less than 10 minutes(1). Therefore, hydrolysis is expected to be the dominant fate process for n-butyl isocyanate in moist soil and water(SRC). Biodegradation is not expected to compete with hydrolysis as an important fate process(SRC).

12.3 Bioaccumulative potential

Isocyanates undergo rapid hydrolysis under environmental conditions with half-lives of less than 10 minutes(1). Therefore, hydrolysis is expected to be the dominant fate process for n-butyl isocyanate in water(SRC). Bioconcentration is not expected to compete with hydrolysis as an important environmental process(SRC).

12.4 Mobility in soil

Isocyanates undergo rapid hydrolysis under environmental conditions with half-lives of less than 10 minutes(1). Therefore, hydrolysis is expected to be the dominant fate process for n-butyl isocyanate in moist soil and water(SRC). Adsorption to soil and sediment is not expected to compete with hydrolysis as an important environmental process(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: UN2485 IMDG: UN2485 IATA: UN2485

14.2 UN Proper Shipping Name

ADR/RID: n-BUTYL ISOCYANATE
IMDG: n-BUTYL ISOCYANATE
IATA: n-BUTYL ISOCYANATE

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

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
n-butyl isocyanate n-butyl isocyanate 111-36-4 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 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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Name: Butyl Isocyanate 99% (GC) Material Safety Data Sheet
Synonym: 1-Isocyanatobutan
CAS: 111-36-4
Section 1 - Chemical Product   MSDS Name:Butyl Isocyanate 99% (GC) Material Safety Data Sheet
Synonym:1-Isocyanatobutan

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
111-36-4 BUTYL ISOCYANATE 99% 203-862-8
Hazard Symbols: XN F
Risk Phrases: 11 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Harmful if swallowed. Irritating to eyes, respiratory system and skin.Moisture sensitive.Lachrymator (substance which increases the flow of tears).
Potential Health Effects
Eye:
Causes eye irritation. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause headache. May cause nausea and vomiting. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May cause lung damage. May cause an allergic response. Vapors may cause dizziness or suffocation.
Chronic:
Prolonged or repeated exposure may cause nausea, dizziness, and headache. Repeated or prolonged exposure may cause allergic reactions in sensitive individuals.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Do NOT allow victim to rub eyes or keep eyes closed.
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:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.

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 may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Wear appropriate protective clothing to prevent contact with skin and eyes. Wear a self-contained breathing apparatus (SCBA) to prevent contact with thermal decomposition products. Containers may explode in the heat of a fire. Water Reactive. Flammable liquid and vapor. Vapors may be heavier than air.
They can spread along the ground and collect in low or confined areas. Contact with metals may evolve flammable hydrogen gas.
Extinguishing Media:
For large fires, use water spray, fog, or alcohol-resistant foam.
Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT get water inside containers. Do NOT use straight streams of water. For small fires, use carbon dioxide, dry chemical, dry sand, or alcohol-resistant foam. Most foams will react with the material and release corrosive/toxic gases.

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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
  Handling:
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Use with adequate ventilation. Do not allow contact with water. Wash clothing before reuse. 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 tightly closed container. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 111-36-4: Russia: 1 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:
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: 10.6 mm Hg @ 20
Viscosity: Not available.
Boiling Point: 115 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 17 deg C ( 62.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: reacts
Specific Gravity/Density: .8800g/cm3
Molecular Formula: C5H9NO
Molecular Weight: 99.13

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, strong bases, strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: May occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 111-36-4: NQ8250000 LD50/LC50:
CAS# 111-36-4: Dermal, guinea pig: LD50 = >1 gm/kg; Inhalation, mouse: LC50 = 680 mg/m3; Inhalation, rat: LC50 = 3 gm/m3; Oral, mouse: LD50 = 150 mg/kg; Oral, rat: LD50 = 600 mg/kg.
Carcinogenicity:
BUTYL ISOCYANATE - 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
Shipping Name: n-BUTYL ISOCYANATE
Hazard Class: 6.1 (3)
UN Number: 2485
Packing Group: I
IMO
Shipping Name: normal-BUTYL ISOCYANATE
Hazard Class: 6.1 (3)
UN Number: 2485
Packing Group: I
RID/ADR
Shipping Name: n-BUTYL ISOCYANATE
Hazard Class: 6.1
UN Number: 2485
Packing group: I

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN F
Risk Phrases:
R 11 Highly flammable.
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
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 33 Take precautionary measures against static
discharges.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 111-36-4: 1
Canada
CAS# 111-36-4 is listed on Canada's DSL List.
CAS# 111-36-4 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 111-36-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Toxicity

ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
600 mg/kg
Toxic Effects
Behavioral--somnolence (general depressed activity)<br>Behavioral--convulsions or effect on seizure threshold<br>Lungs, Thorax, or Respiration--cyanosis
Reference
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976
ACUTE TOXICITY DATA
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Type of Test
LC50 - Lethal concentration, 50 percent kill
Exposure Route
Inhalation
Species Observed
Rodent - rat
Dose/Duration
3 gm/m3
Toxic Effects
Behavioral--somnolence (general depressed activity)<br>Behavioral--convulsions or effect on seizure threshold<br>Lungs, Thorax, or Respiration--cyanosis
Reference
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
150 mg/kg
Toxic Effects
Behavioral--somnolence (general depressed activity)<br>Behavioral--convulsions or effect on seizure threshold<br>Lungs, Thorax, or Respiration--cyanosis
Reference
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 20(3),53,1976

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