neopentane

CAS No. 463-82-1

Formula: C5H12
Basic Info

Neopentane, also called 2,2-dimethylpropane, is a double-branched-chain alkane with five carbon atoms. Neopentane is an extremely flammable gas at room temperature and pressure which can condense into a highly volatile liquid on a cold day, in an ice bath, or when compressed to a higher pressure.
Neopentane is the simplest alkane with a quaternary carbon. It is one of the three structural isomers with the molecular formula C5H12 (pentanes), the other two being n-pentane and isopentane.

Formula
C5H12
Molecular Weight
72.1488
Exact Mass
72.0939
LogP
2.0524
PSA
0
Synonyms

EINECS 207-343-7

UN2044

1,1,1-Trimethylethane

neopentylidene

NEOPENTANE

2,2-DIMETHYL-4-(5-METHOXY-2-METHYLPHENYL)-4-OXOBUTYRIC ACID

Propane,2,2-dimethyl

2,2-DIMETHYLPROPANE

Tetramethylmethane

tert-Pentane

2,2-dimethyl-propane

Propane, 2,2-dimethyl-

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Properties
Density
0.649 g/cm3
Boiling Point
7.2ºC at 760 mmHg
Melting Point
-19.5ºC
Refractive Index
1.37
Vapor Pressure
1420mmHg at 25°C
Safety Info
Safety Statements
S9; S16; S33; S61
Risk Statements
R12; R51/53
HS Code
2901100000
RIDADR
UN 2044
Hazard Class
2.1
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 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name neopentane

1.2 Other means of identification

Product number -
Other names 2,2-DIMETHYL-4-(5-METHOXY-2-METHYLPHENYL)-4-OXOBUTYRIC ACID

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

Gases under pressure: Compressed gas

Flammable gases, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H220 Extremely flammable gas

H411 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.

P273 Avoid release to the environment.

Response

P377 Leaking gas fire: Do not extinguish, unless leak can be stopped safely.

P381 In case of leakage, eliminate all ignition sources.

P391 Collect spillage.

Storage

P410+P403 Protect from sunlight. Store in a well-ventilated place.

P403 Store in a well-ventilated place.

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
neopentane neopentane 463-82-1 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

First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again.

In case of eye contact

Rinse with plenty of water (remove contact lenses if easily possible). Refer for medical attention.

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

Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: Vapors may cause dizziness or asphyxiation without warning. Some may be irritating if inhaled at high concentrations. Contact with gas or liquefied gas may cause burns, severe injury and/or frostbite. Fire may produce irritating and/or toxic gases. (ERG, 2016)

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

Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aliphatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

FIRE FIGHTING: Move container from fire area if it can be done without risk. Cool containers with water spray until well after the fire is out. Stay away from the ends of tanks. For fires in cargo or storage area: Cool containers with water from unmanned hose holder or monitor nozzles until well after fire is out. If this is impossible then take the following precautions: Keep unnecessary people away, isolate hazard area and deny entry. Let the fire burn. Withdraw immediately in case of rising sound from venting safety device or any discoloration of tanks due to fire. For tank, rail car or tank truck: Stop leak if possible without personal risk. Let burn unless leak can be stopped immediately. For smaller tanks or cylinders, extinguish and isolate from other flammables. Evacuation radius: 800 meters (1/2 mile). Do not attempt to extinguish fire unless flow of material can be stopped first. Flood with fine water spray. Cool containers with water spray until well after the fire is out. Apply water from a protected location or from a safe distance. Avoid inhalation of material or combustion by-products. Stay upwind and keep out of low areas. Evacuate if fire gets out of control or containers are directly exposed to fire. Evacuation radius: 500 meters (1/3 mile). Consider downwind evacuation if material is leaking. Stop flow of gas.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 115 [Gases - Flammable (Including Refrigerated Liquids)]: EXTREMELY FLAMMABLE. Will be easily ignited by heat, sparks or flames. Will form explosive mixtures with air. Vapors from liquefied gas are initially heavier than air and spread along ground. CAUTION: Hydrogen (UN1049), Deuterium (UN1957), Hydrogen, refrigerated liquid (UN1966) and Methane (UN1971) are lighter than air and will rise. Hydrogen and Deuterium fires are difficult to detect since they burn with an invisible flame. Use an alternate method of detection (thermal camera, broom handle, etc.) Vapors may travel to source of ignition and flash back. Cylinders exposed to fire may vent and release flammable gas through pressure relief devices. Containers may explode when heated. Ruptured cylinders may rocket. (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! Remove all ignition sources. Consult an expert! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Shut off cylinder if possible. Isolate the area until the gas has dispersed. Remove gas with fine water spray.

6.3 Methods and materials for containment and cleaning up

Evacuate and restrict persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Establish forced ventilation to keep levels below explosive limit. Stop the flow of gas if it can be done safely. If source of leak is a cylinder and the leak cannot be stopped in place, remove leaking cylinder to a safe place in the open air, and repair leak or allow cylinder to empty. Keep this chemical out of a confined space ... because of the possibility of an explosion ... It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable.

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.Prior to working with this chemical you should be trained on its proper handling and storage. Before entering a confined space where this chemical may be present, check to make sure that an explosive concentration does not exist. Store in tightly closed containers in a cool, well-ventilated area away from heat. Sources of ignition such as smoking and open flames are prohibited where this chemical is used, handled, or stored. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only non-sparking tools and equipment, especially when opening and closing containers of this chemical. Where this chemical is used, handled, manufactured, or stored, use explosion-proof electrical equipment and fittings. Procedures for handling, use, and storage of cylinders should be in compliance with OSHA 1910.101 and 1910.169 as with the recommendations of the Compressed Gas Association.

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 May liquefy in cool or cold weather. Less dense than water. Insoluble in water but soluble in alcohol. Under prolonged exposure to fire or heat, the containers may rupture violently and rocket.
Colour Colorless gas or very volatile liquid
Odour Gasoline-like odor
Melting point/ freezing point -19.5ºC
Boiling point or initial boiling point and boiling range 7.2ºC at 760 mmHg
Flammability Extremely flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.4% by volume; Upper flammable limit: 7.5% by volume
Flash point less than 19.4 deg F
Auto-ignition temperature 842 deg F (450°C)
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility In water, 33.2 mg/L at 25°C
Partition coefficient n-octanol/water (log value) log Kow = 3.11
Vapour pressure 1420mmHg at 25°C
Density and/or relative density 0.649 g/cm3
Relative vapour density 2.5 (Air = 1)
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

Both the gas and the liquid are flammable when exposed to heat or flame; can react vigorously with oxidizing materials.The gas is heavier than air and may travel along the ground; distant ignition possible. The gas mixes well with air, explosive mixtures are easily formed.2,2-DIMETHYLPROPANE may be incompatible with strong oxidizing agents like nitric acid. Charring may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, mostly unreactive. Not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. Burns exothermically if heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents to produce carbon dioxide and water.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Reacts with strong oxidizers, causing fire and explosion hazard. Attaks some plastics, rubbers, and coatings.

10.6 Hazardous decomposition products

When heated to decomposition it emits acrid smoke and irritating fumes.

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: LC40 Mouse inhalation 340,000 ppm/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: The highly branched structure of 2,2-dimethylpropane suggests that biodegradation in soil and water will be slow(1).

12.3 Bioaccumulative potential

An estimated BCF of 52 was calculated in fish for 2,2-dimethylpropane(SRC), using a log Kow of 3.11(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,2-dimethylpropane can be estimated to be 500(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,2-dimethylpropane is expected to have moderate 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: UN2044 IMDG: UN2044 IATA: UN2044

14.2 UN Proper Shipping Name

ADR/RID: 2,2-DIMETHYLPROPANE
IMDG: 2,2-DIMETHYLPROPANE
IATA: 2,2-DIMETHYLPROPANE

14.3 Transport hazard class(es)

ADR/RID: 2.1 IMDG: 2.1 IATA: 2.1

14.4 Packing group, if applicable

ADR/RID: unknown IMDG: unknown IATA: unknown

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
neopentane neopentane 463-82-1 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) Not Listed.

16.Other information

Information on revision

Creation Date Aug 17, 2017
Revision Date Aug 17, 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.
Spectrum
NMR Spectrum 1H NMR : parameter in CCl4
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