pentan-1-ol
CAS No.: 71-41-0 Formula: C5H12O Molecular Weight: 88.14820
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pentan-1-ol

CAS No.: 71-41-0 Formula: C5H12O Molecular Weight: 88.14820
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Description

1-Pentanol, (or n-pentanol, pentan-1-ol), is an alcohol with five carbon atoms and the molecular formula C5H11OH. 1-Pentanol is a colorless liquid with an unpleasant aroma. It is the straight-chain form of amyl alcohol, one of 8 isomers with that formula.
The hydroxyl group (OH) is the active site of many reactions. The ester formed from 1-pentanol and butyric acid is pentyl butyrate, which smells like apricot. The ester formed from 1-pentanol and acetic acid is amyl acetate (also called pentyl acetate), which smells like banana.
Pentanol can be used as a solvent for coating CDs and DVDs. Pentanol has all the properties necessary to replace gasoline as an internal combustion fuel.
Pentanol can be prepared by fractional distillation of fusel oil. To reduce the use of fossil fuels, research is underway to develop cost-effective methods of producing (chemically identical) bio-pentanol with fermentation.

Basic Info

Chemical Name pentan-1-ol
Synonyms

n-amyl alcohol; 1-Pentano1; 1-Pentanol; ALCOHOL C5; 1-pentyl alcohol; 1-amyl alcohol; Pentanol-1; Pentasol; n-butyl carbinol; n-pentyl alcohol; Amylol; petan-1-ol; n-C5H11OH; Expand

CAS No. 71-41-0
Molecular Formula C5H12O
Molecular Weight 88.14820
PSA 20.23000
LogP 1.16890

Properties

Appearance & Physical State Colorless liquid.
Density 0.811
Boiling Point 137-139ºC
Melting Point -78ºC
Flash Point 49ºC
Refractive Index 1.4083-1.4103
Stability Stable. Flammable. Incompatible with strong oxidizing agents.
Storage Condition Flammables area

Safety Info

Safety Statements S46
HS Code 2905199090
Packing Group II
RIDADR UN 1105/2705
Risk Statements R10; R20; R37; R66
Hazard Codes Xn
Symbol GHS02, GHS07
Hazard Declaration H226; H315; H319; H332; H335
Signal Word Warning
Caution Statement P210; P261; P280; P304 + P340 + P312; P337 + P313; P403 + P235
SDS Version: 1.0 Expand

SDS Version: 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 pentan-1-ol

1.2 Other means of identification

Product number -
Other names n-amyl alcohol

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 XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
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 3

Skin irritation, Category 2

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H315 Causes skin irritation

H332 Harmful if inhaled

H335 May cause respiratory 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.

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

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

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.

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

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

Storage

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

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

P405 Store locked up.

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
pentan-1-ol pentan-1-ol 71-41-0 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

Remove contaminated clothes. Rinse skin with plenty of water or shower. Seek medical attention if you feel unwell.

In case of eye contact

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

If swallowed

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

4.2 Most important symptoms/effects, acute and delayed

Irritation of skin, eyes, and respiratory tract; headache and vertigo; dyspnea and cough; nausea, vomiting, and diarrhea. Double vision, deafness, delirium, and occasionally fatal poisoning, preceded by severe nervous symptoms, have been reported. Coma, glycosuria, and methemoglobinemia can occur. (USCG, 1999)

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

There is no antidote for intoxication /of pentyl alcohols/. If symptoms develop, the victim should be removed from the contaminated area and given supportive treatment if it is needed. /Pentyl alcohols/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Extinguish with dry chemical, alcohol foam, or carbon dioxide. Water may be ineffective on fire. Cool exposed containers with water.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than 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

Remove all ignition sources. Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. /pentanols/

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.Fireproof. Separated from strong oxidants, and alkaline metals and alkaline-earth metals. Keep in a well-ventilated room.

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 liquid.
Colour Colorless liquid
Odour CHARACTERISTIC FUSEL-LIKE ODOR
Melting point/ freezing point -79°C(lit.)
Boiling point or initial boiling point and boiling range 136-138°C(lit.)
Flammability Flammable. Heating will cause rise in pressure with risk of bursting.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.2% by volume; Upper flammable limit: 10.0% by volume at 212 deg F (100°C)
Flash point 49°C
Auto-ignition temperature 300°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 5 mm²/s at 20°C
Solubility 10 to 50 mg/mL at 17.22°C
Partition coefficient n-octanol/water (log value) low Kow= 1.51
Vapour pressure 1 mm Hg at 13.61°C ; 2.8 mm Hg at 20°C
Density and/or relative density 0.811g/mLat 25°C(lit.)
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

Extremely flammable if exposed to heat or flame.Moderately toxic, flammable if exposed to powerful oxidizers. Incompatible with oxidizing materials, hydrogen trisulfide [Sax, 9th ed., 1996, p. 224].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Attacks many alkaline and earth alkaline metals forming flammable/explosive gas.

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 200 mg/kg
  • 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: LC50 Brachydanio rerio (Zebra fish) 530 mg/L/96 hr; static
  • Toxicity to daphnia and other aquatic invertebrates: EC50 Daphnia magna (Water flea; immobilizaiton) 341 mg/L/48 hr />99% n-Pentanol, <1% 3-Methylbutanol-1
  • Toxicity to algae: EC50 Scenedesmus quadricauda (Algae; cell multiplication inhibition) 260 mg/L/8 days; pH 7.0
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: In 5-day BOD tests with sewage as microbial inoculum, the oxygen consumption of n-pentyl alcohol ranged from 59 to 86.9% of the theoretical BOD(1,4-7). In a Warburg test with activated sludge as inoculum, the oxygen consumption at 1 day of incubation was 28% of the theoretical value(3). At concentrations above 300 mg/L, n-pentyl alcohol may have an inhibitory effect on the oxidative respiratory rate in the presence of activated sludge(8). The first order rate constants (at a constant microorganism concn) for biodegradation of n-pentyl alcohol in non-adapted activated sludge was 0.0285 per hr(2) corresponding to an aerobic biodegradation half-life of 1 day.

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated for n-pentyl alcohol(SRC) using a log Kow of 1.51(1) and a regression derived equation(2). Based on 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 n-pentyl alcohol is estimated as 160(SRC), using a log Kow of 1.51(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-pentyl alcohol 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: UN1105 IMDG: UN1105 IATA: UN1105

14.2 UN Proper Shipping Name

ADR/RID: PENTANOLS
IMDG: PENTANOLS
IATA: PENTANOLS

14.3 Transport hazard class(es)

ADR/RID: 3 IMDG: 3 IATA: 3

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
pentan-1-ol pentan-1-ol 71-41-0 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 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 Expand
1H NMR : PredictExpand

NMR Spectrum 1H NMR : Predict

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Mass spectrum (electron ionization)Expand
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Administration onto the skin Standard Draize test Rodent - rabbit 3200 mg/kg/24H -
Administration onto the skin Standard Draize test Rodent - rabbit 20 mg/24H -
Administration into the eye Standard Draize test Rodent - rabbit 81 mg -
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