109-66-0 structure, C5H12
pentane
CAS No.: 109-66-0 Formula: C5H12 Molecular Weight: 72.14880
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pentane

CAS No.:

109-66-0

Formula:

C5H12

Molecular Weight: 72.14880
Suppliers: All (48) China Suppliers (48) Price Available (9) Contractor (2)

Description

Pentane is an organic compound with the formula C5H12 — that is, an alkane with five carbon atoms. The term may refer to any of three structural isomers, or to a mixture of them: in the IUPAC nomenclature, however, pentane means exclusively the n-pentane isomer; the other two are called isopentane (methylbutane) and neopentane (dimethylpropane). Cyclopentane is not an isomer of pentane because it has only 10 hydrogen atoms where pentane has 12.
Pentanes are components of some fuels and are employed as specialty solvents in the laboratory. Their properties are very similar to those of butanes and hexanes.

Numbering system

MDL number MFCD00009498
EINECS number 203-692-4
BRN number 969132
PubChem number 24854184
RTECS number RZ9450000

Properties

Appearance & Physical State

clear, colorless Liquid

Density

0.626

Boiling Point

36ºC

Melting Point

-130ºC

Flash Point

-49ºC

Refractive Index

1.358

Stability

Stable at room temperature in closed containers under normal storage and handling conditions.

Storage Condition

2-8ºC

Vapor Pressure

527mmHg at 25°C

Safety Info

Safety Statements

S16-S29-S33-S61-S62-S9

HS Code

2930909019

Packing Group

II

RIDADR

UN 1265

Risk Statements

R12; R51/53; R65; R66; R67

Hazard Codes

Xn

Caution Statement

P210; P301 + P310; P331; P370 + P378; P403 + P235

Symbol

GHS02, GHS07, GHS08, GHS09

Signal Word

Danger

Supplemental Hazard Statements

Repeated exposure may cause skin dryness or cracking.

Hazard Declaration

H225; H304; H336; H411

SDS 1.0

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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 pentane

1.2 Other means of identification

Product number -
Other names PENTANE,(MIXEDISOMERS)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Fuels and fuel additives,Intermediates,Paint additives and coating additives not described by other categories,Plasticizers,Processing aids, not otherwise listed,Processing aids, specific to petroleum production,Propellants and blowing 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

Aspiration hazard, Category 1

Specific target organ toxicity – single exposure, Category 3

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)

H225 Highly flammable liquid and vapour

H304 May be fatal if swallowed and enters airways

H336 May cause drowsiness or dizziness

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.

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.

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

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

P273 Avoid release to the environment.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P331 Do NOT induce vomiting.

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

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

P391 Collect spillage.

Storage

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

P405 Store locked up.

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

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
pentane pentane 109-66-0 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).

If swallowed

Rinse mouth. Do NOT induce vomiting. Refer immediately for medical attention.

4.2 Most important symptoms/effects, acute and delayed

Low toxicity. Very high vapor concentrations produce narcosis. Aspiration into lungs can produce chemical pneumonitis and/or pulmonary edema. (USCG, 1999)

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

Call for medical aid. Vapor, if inhaled, will cause dizziness or difficult breathing. Move to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen. Liquid is harmful if swallowed. ... Do not induce vomiting.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

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

5.2 Specific hazards arising from the chemical

Behavior in Fire: Containers may explode (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! Personal protection: filter respirator for organic gases and vapours of low boiling point adapted to the airborne concentration of the substance. Remove all ignition sources. Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

6.3 Methods and materials for containment and cleaning up

Evacuate danger area! consult an expert! Personal protection: self-contained breathing apparatus. Ventilation. Remove all ignitino sources. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent...

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. Cool. Well closed. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.Storage temp: ambient. Venting: open (flame arrester) or pressure-vacuum.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hour Time-Weighted Average: 120 ppm (350 mg/cu m).

Recommended Exposure Limit: 15 Minute Ceiling Value: 610 ppm (1800 mg/cu m).

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, colorless Liquid
Colour Colorless liquid [Note: A gas above 97 degrees F. May be utilized as a fuel].
Odour Pleasant
Melting point/ freezing point 304°C(lit.)
Boiling point or initial boiling point and boiling range 35-36°C(lit.)
Flammability Class IA Flammable Liquid: Fl.P. below 22.78°C and BP below 37.78°C.Highly flammable. Heating will cause rise in pressure with risk of bursting.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.5% by volume; Upper flammable limit: 7.8% by volume.
Flash point -49°C
Auto-ignition temperature 260°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.2224 mPa.sec at 25°C (liquid)
Solubility less than 1 mg/mL at 21.11°C
Partition coefficient n-octanol/water (log value) log Kow = 3.39
Vapour pressure 527mmHg at 25°C
Density and/or relative density 0.626g/mLat 25°C(lit.)
Relative vapour density 2.48 (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

Flammable in the presence of a source of ignition when the temperature is above the flash point.The vapour is heavier than air and may travel along the ground; distant ignition possible. The vapour is heavier than air and may accumulate in lowered spaces causing a deficiency of oxygen.N-PENTANE is incompatible with strong oxidizers. It is also incompatible with strong acids, alkalis, and oxygen. Mixtures with chlorine gas have produced explosions. It will attack some forms of plastics, rubber, and coatings. .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong oxidizers.

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: LC50 Rat inhalation 364 g/cu m/4H
  • 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: EC50; Species: Daphnia magna (Water Flea) age 4-6 days, length 1.5 mm; Conditions: freshwater, static, 23°C, pH 6-7, dissolved oxygen 5-9 mg/L; Concentration: 135 mmol/cu m for 48 hr (95% confidence interval: 111-164 mmol/cu m); Effect: intoxication, immobilization /> or =97% purity
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: n-Pentane reached 0.3, 3.2 and 10.1% of its theoretical BOD after 6, 24, and 72 hours, respectively, using a benzene-acclimated activated sludge(1). n-Pentane reached 0.7, 0.5 and 0.7% of its theoretical BOD at intervals of 6, 12, and 24 hours, respectively, using aeration units of sewage treatment facilities(2). Within 24 hours, pentane was oxidized to its corresponding methyl ketone, 2-pentanone(3,5), and the corresponding alcohol, 2-pentanol(4,5), by cell suspensions of over 20 methyltrophic organisms isolated from lake water and soil samples(3-5). n-Pentane, and 12 other components of gasoline were completely degraded using an activated sludge inoculum in less than 30 days(6). n-Pentane, present at 100 mg/L, reached 96% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(7). n-Pentane, present at 18.7 ug as a component in gasoline, was incubated in a New Jersey rainwater retention pond. The median half-life of total detectable gasoline hydrocarbons was 5.0 days(8).

12.3 Bioaccumulative potential

An estimated BCF of 80 was calculated for n-pentane(SRC), using a log Kow of 3.39(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 n-pentane can be estimated to be 72(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-pentane is expected to have high mobility in soil.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1265 IMDG: UN1265 IATA: UN1265

14.2 UN Proper Shipping Name

ADR/RID: PENTANES, liquid
IMDG: PENTANES, liquid
IATA: PENTANES, liquid

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: 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
pentane pentane 109-66-0 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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NMR Spectrum 1H NMR : Predict

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109-66-0 NMR spectrum
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