1634-04-4 structure, C5H12O

methyl tert-butyl ether

CAS No.

1634-04-4

Formula:

C5H12O

Basic Info

Methyl tert-butyl ether (also known as MTBE, tert-butyl methyl ether, tertiary butyl methyl ether and tBME) is an organic compound with molecular formula (CH3)3COCH3. MTBE is a volatile, flammable, and colorless liquid that is sparingly soluble in water. It has a minty odor vaguely reminiscent of diethyl ether, leading to unpleasant taste and odor in water. MTBE is a gasoline additive, used as an oxygenate to raise the octane number. Its use is controversial in the US and declining in use in part because of its occurrence in groundwater and legislation favoring ethanol. However, worldwide production of MTBE has been constant at about 18 million tons/y (2005) owing to growth in Asian markets.

Formula
C5H12O
Molecular Weight
88.1482
Exact Mass
88.0888
LogP
1.4313
PSA
9.23
Synonyms

Propane, 2-methoxy-2-methyl-

2-methoxy-2-methyl

MBT-ETHER

HP-MTBE

MTBE

tert-butyl-methyl-ether

tert-BuOCH3

Methyl tert-butyl ether

MTB

tert-C4H9OCH3

Driveron

MTBE,Methyl tert-butyl ether

BOC-L-ARG(MTR)-OH

ARCOPURE(R) MTBE

tert-Butyl methyl ether

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Properties

Appearance & Physical State
clear liquid
Density
0.7404
Boiling Point
54-56ºC
Melting Point
-110ºC
Freezing Point
-108.6℃
Flash Point
-28ºC
Refractive Index
1.3675-1.3695
Water Solubility
51 g/L (20 ºC)
Stability
Stable, but may form explosive peroxides in contact with air. Extremely flammable - note low flash point. Incompatible with strong oxidizing agents.
Storage Condition
-20ºC
Vapor Density
3.1 (vs air)
Vapor Pressure
4.05 psi ( 20 °C)

Safety Info

RTECS
KN5250000
Safety Statements
S16-S24-S9
WGK Germany
3
Risk Statements
R11; R38
HS Code
2909199090
RIDADR
UN 2398
Hazard Class
3
Packing Group
II
Caution Statement
P210; P370 + P378; P403 + P235
Hazard Codes
Hazard Declaration

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 methyl tert-butyl ether

1.2 Other means of identification

Product number -
Other names Propane, 2-methoxy-2-methyl-

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

Skin 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

H315 Causes skin 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.

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

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
methyl tert-butyl ether methyl tert-butyl ether 1634-04-4 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

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

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

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

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

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

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

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

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 no data available
Odour no data available
Melting point/ freezing point 273°C(lit.)
Boiling point or initial boiling point and boiling range 55-56°C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point -33°C
Auto-ignition temperature 373.89°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water:51 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 4.05 psi ( 20 °C)
Density and/or relative density 0.74g/mLat 25°C(lit.)
Relative vapour density 3.1 (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

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: 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

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

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: UN2398 IMDG: UN2398 IATA: UN2398

14.2 UN Proper Shipping Name

ADR/RID: METHYL tert-BUTYL ETHER
IMDG: METHYL tert-BUTYL ETHER
IATA: METHYL tert-BUTYL ETHER

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
methyl tert-butyl ether methyl tert-butyl ether 1634-04-4 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 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: tert-Butyl methyl ether 99% Material Safety Data Sheet
Synonym: t-Butyl methyl ether; MBE; 2-Methoxy-2-methylpropane; 2-Methyl-2-methoxypropane; MTBE; Methyl t-butyl ether
CAS: 1634-04-4
Section 1 - Chemical Product   MSDS Name:tert-Butyl methyl ether 99% Material Safety Data Sheet
Synonym:t-Butyl methyl ether; MBE; 2-Methoxy-2-methylpropane; 2-Methyl-2-methoxypropane; MTBE; Methyl t-butyl ether

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1634-04-4 tert-Butyl methyl ether 99 216-653-1
Hazard Symbols: XI F
Risk Phrases: 11 19 38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. May form explosive peroxides. Irritating to skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. A single prolonged skin exposure is not likely to result in the material being absorbed in harmful amounts.
Ingestion:
May cause effects similar to those for inhalation exposure.
Aspiration of material into the lungs may cause chemical pneumonitis, which may be fatal.
Inhalation:
Causes respiratory tract irritation. May cause kidney damage. May cause drowsiness, unconsciousness, and central nervous system depression. Vapors may cause dizziness or suffocation.
Chronic:
Chronic inhalation may cause effects similar to those of acute inhalation. May cause cancer according to animal studies. Adverse reproductive effects have been reported in animals.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
Potential for aspiration if swallowed. Get medical aid immediately.
Do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. Combustion generates toxic fumes. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. May form explosive peroxides. Extremely flammable liquid and vapor. Vapor may cause flash fire. This liquid floats on water and may travel to a source of ignition and spread fire.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Water may be ineffective. Do NOT use straight streams of water.

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. Remove all sources of ignition.
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. Avoid ingestion and inhalation. If peroxide formation is suspected, do not open or move container. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Use only with adequate ventilation.
Keep away from heat, sparks and flame. Do not allow to evaporate to near dryness.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. In the presence of atmospheric oxygen, ethers generally form unstable peroxides, but no peroxides were detected in unstabilized MTBE after storage for 52 months. MTBE has a significantly decreased formation of peroxides compared with other ethers.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels below recommended exposure limits. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 1634-04-4: United Kingdom, WEL - TWA: 25 ppm TWA; 92 mg/m3 TWA United Kingdom, WEL - STEL: 75 ppm STEL; 275 mg/m3 STEL Belgium - TWA: 40 ppm VLE; 146 mg/m3 VLE Germany: 50 ppm TWA; 180 mg/m3 TWA Malaysia: 40 ppm TWA; 144 mg/m3 TWA Netherlands: 100 ppm STEL; 360 mg/m3 STEL Netherlands: 50 ppm MAC; 180 mg/m3 MAC Russia: 100 mg/m3 TWA Spain: 40 ppm VLA-ED; 147 mg/m3 VLA-ED Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure. Chemical-resistant nitrile rubber gloves should be worn during routine handling. Disposable nitrile gloves may be suggested for intermittent use.
PVC, Neoprene, Viton, Butyl or natural rubber are NOT recommended.
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: clear, colorless
Odor: hydrocarbon-like - unpleasant odor
pH: Not available.
Vapor Pressure: 249 mm Hg @ 25 deg C
Viscosity: Not available.
Boiling Point: 55.2 deg C
Freezing/Melting Point: -109 deg C
Autoignition Temperature: 435 deg C ( 815.00 deg F)
Flash Point: -28 deg C ( -18.40 deg F)
Explosion Limits, lower: 1.6%
Explosion Limits, upper: 8.4%
Decomposition Temperature: Not available.
Solubility in water: 4.8g/100g water
Specific Gravity/Density: 0.74 (water=1)
Molecular Formula: C5H12O
Molecular Weight: 88.15

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions. Under normal storage conditions, peroxidizable compounds can form and accumulate peroxides which may explode when subjected to heat or shock. This material is most hazardous when peroxide levels are concentrated by distillation or evaporation.
Conditions to Avoid:
Ignition sources, excess heat, prolonged exposure to air.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, formic acid, butyl formate, methyl radicals, acetone.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1634-04-4: KN5250000 LD50/LC50:
CAS# 1634-04-4: Inhalation, mouse: LC50 = 141 gm/m3/15M; Inhalation, mouse: LC50 = 28000 mg/m3/2H; Inhalation, rat: LC50 = 23576 ppm/4H; Inhalation, rat: LC50 = 41000 mg/m3/4H; Oral, mouse: LD50 = 5960 uL/kg; Oral, rat: LD50 = 4 gm/kg.
Carcinogenicity:
tert-Butyl methyl ether - ACGIH: A3 - Confirmed animal carcinogen with unknown relevance to Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Fathead Minnow: LC50 = 110 mg/L; 96 Hr.; UnspecifiedFish: Fathead Minnow: LC50 = 706 mg/L; 30 days old; Flow-through; 24-26 degreesBacteria: Phytobacterium phosphoreum: EC50 = 11.4-55 mg/L; 5,15,30 minutes; Microtox test; 15 degrees C

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: METHYL-tert-BUTYL ETHER
Hazard Class: 3
UN Number: 2398
Packing Group: II
IMO
Shipping Name: METHYL-tertiary-BUTYL ETHER
Hazard Class: 3.1
UN Number: 2398
Packing Group: II
RID/ADR
Shipping Name: METHYL-tert-BUTYL ETHER
Hazard Class: 3
UN Number: 2398
Packing group: II
USA RQ: CAS# 1634-04-4: 1000 lb final RQ; 454 kg final RQ

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI F
Risk Phrases:
R 11 Highly flammable.
R 19 May form explosive peroxides.
R 38 Irritating to skin.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 33 Take precautionary measures against static
discharges.
S 37 Wear suitable gloves.
WGK (Water Danger/Protection)
CAS# 1634-04-4: 1
Canada
CAS# 1634-04-4 is listed on Canada's DSL List.
CAS# 1634-04-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1634-04-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Related Compound Information