n-Butanol
CAS No.: 71-36-3 Formula: C4H10O Molecular Weight: 74.12160
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n-Butanol

CAS No.: 71-36-3 Formula: C4H10O Molecular Weight: 74.12160
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Description

n-Butanol or n-butyl alcohol or normal butanol is a primary alcohol with a 4-carbon structure and the chemical formula C4H9OH. Its isomers include isobutanol, 2-butanol, and tert-butanol. Butanol is one of the group of "fusel alcohols" (from the German for "bad liquor"), which have more than two carbon atoms and have significant solubility in water.
n-Butanol occurs naturally as a minor product of the fermentation of sugars and other carbohydrates, and is present in many foods and beverages. It is also a permitted artificial flavorant in the United States, used in butter, cream, fruit, rum, whiskey, ice cream and ices, candy, baked goods and cordials. It is also used in a wide range of consumer products.
The largest use of n-butanol is as an industrial intermediate, particularly for the manufacture of butyl acetate (itself an artificial flavorant and industrial solvent). It is a petrochemical, manufactured from propylene and usually used close to the point of manufacture. Estimated production figures for 1997 are: United States 784,000tonnes; Western Europe 575,000tonnes; Japan 225,000tonnes.

Basic Info

Chemical Name n-Butanol
Synonyms

n-C4H9OH; n-Butyl alcohol; 1-Butanol; Butan alcohol; Butanol-1; n-Butul alcohol; 1-Butyl alcohol; Butan-1-ol; Expand

CAS No. 71-36-3
Molecular Formula C4H10O
Molecular Weight 74.12160
PSA 20.23000
LogP 0.77880

Properties

Appearance & Physical State colourless liquid
Density 0.81
Boiling Point 117.6ºC
Melting Point -89ºC
Flash Point 35ºC
Refractive Index 1.398-1.4
Water Solubility 80 g/L (20 ºC)
Stability Stable. Incompatible with strong acids, strong oxidizing agents, aluminium, acid chlorides, acid anhydrides, copper, copper alloys. Flammable.
Storage Condition Store at RT.
Vapor Density 2.55 (vs air)

Safety Info

RTECS EO1400000
Hazard Class 3
Safety Statements S13-S26-S37/39-S46-S7/9
HS Code 2905130000
WGK Germany 1
Packing Group III
RIDADR UN 1120 3/PG 3
Risk Statements R10; R22; R37/38; R41; R67
Hazard Codes Xn
Caution Statement P210; P280; P301 + P312 + P330; P304 + P340 + P312; P305 + P351 + P338 + P310; P403 + P235
Hazard Declaration H226; H302; H315; H318; H335; H336
Symbol GHS02, GHS05, GHS07
Signal Word Danger
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 butan-1-ol

1.2 Other means of identification

Product number -
Other names butan 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

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity – single exposure, Category 3

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H226 Flammable liquid and vapour

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

H336 May cause drowsiness or dizziness

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.

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.

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

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.

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

P310 Immediately call a POISON CENTER/doctor/…

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
butan-1-ol butan-1-ol 71-36-3 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.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

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

4.2 Most important symptoms/effects, acute and delayed

Anesthesia, nausea, headache, dizziness, irritation of respiratory passages. Mildly irritating to the skin and eyes. (USCG, 1999)

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 as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on 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. /Higher alcohols (>3 carbons) and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Special hazards arising from the substance or mixture: carbon oxides...

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

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. 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. Wash away remainder with plenty of water.

6.3 Methods and materials for containment and cleaning up

ACCIDENTAL RELEASE MEASURES. Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas.; Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains.; Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.

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 aluminium.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 15 Minute Ceiling value: 50 ppm (150 mg/cu m) [skin].

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 colourless liquid
Colour Colorless liquid
Odour HARSH FUSEL ODOR WITH BANANA
Melting point/ freezing point 263°C(lit.)
Boiling point or initial boiling point and boiling range 116-118°C(lit.)
Flammability Class IC Flammable Liquid: Fl.P. at or above 22.78°C and below 37.78°C.Flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 1.4% by volume; Upper flammable limit: 11.2% by volume
Flash point 35°C
Auto-ignition temperature 342.78°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 36.1 cP at -50.9°C; 5.186 cP at 0°C; 2.544 cP at 25°C; 0.533 cP at 100°C
Solubility In water:80 g/L (20 ºC)
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 15.51 mm Hg (USCG, 1999)
Density and/or relative density 0.81g/mLat 25°C(lit.)
Relative vapour density 2.55 (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 liquid. Moderately explosive when exposed to flame.N-BUTYL ALCOHOL attacks plastics. [Handling Chemicals Safely 1980. p. 236]. Mixtures with concentrated sulfuric acid and strong hydrogen peroxide can cause explosions. May form explosive butyl hypochlorite by reacting with hypochlorous acid. May form butyl explosive butyl hypochlorite with chlorine.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Butanol, used as a solvent in an autoclave preparation at 100°C, severely attacked the aluminum gasket, liberating hydrogen which caused a sharp rise in pressure. Other alcohols would behave similarly ... .

10.6 Hazardous decomposition products

When heated to decomp it emits acrid smoke and fumes.

11.Toxicological information

Acute toxicity

  • Oral: LD50 rats 0.79 to 4.36 g/kg (single oral dose)
  • Inhalation: LC50 Rat inhalation 8000 ppm/4 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

CLASSIFICATION: D; not classifiable as to human carcinogenicity. BASIS FOR CLASSIFICATION: Based on no human and no animal cancer data. HUMAN CARCINOGENICITY DATA: None. ANIMAL CARCINOGENICITY DATA: None.

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; Species: Pimephales promelas (fathead minnow) /4-8 wk juvenile, length 1.1-3.1 cm, Conditions: freshwater, static, 18-22°C, dissolved oxygen >4.0 mg/L/; Concentration: 1940 mg/L for 24, 48, 72, 96 hr /formulation
  • Toxicity to daphnia and other aquatic invertebrates: EC50; Species: Daphnia magna (water flea); Conditions: /freshwater, static/; Concentration: 2337 mg/L for 24 hr; Effect: lost ability to swim
  • Toxicity to algae: EC50; Species: Enteromorpha intestinalis (Green Algae); Conditions: saltwater, static, 15°C; Concentration: 135 mM for 24 hr; Effect: physiology, decreased neutral red uptake /95-99.8% purity
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: n-Butyl alcohol biodegrades rapidly in screening tests using a sewage or activated sludge inoculum and is considered readily biodegradable(1). n-Butyl alcohol reached 66% of its theoretical BOD in a sewage sludge during a 5 day incubation period(2) and 33% of its theoretical BOD using an inoculum from polluted surface water(3). The first-order rate constant for the degradation of n-butyl alcohol in soils was reported as 2X10-6 sec-1(4); this corresponds to a half-life of approximately 4 days(SRC). The first-order biodegradation rate constant of n-butyl alcohol in an activated sludge inoculum was reported as 9.59X10-3 per hour(5); this corresponds to a half-life of about 3 days(SRC). The biodegradation half-life of n-butyl alcohol in a sub-surface soil from Blacksburg, VA was approximately 7 days(6). The biodegradation half-life of n-butyl alcohol in a basic sandy silt loam from Texas was reported as 1 day and the half-life of n-butyl alcohol in an acidic sandy loam from Mississippi was reported as 8.5 days(7). A 20 day BOD (Biochemical Oxygen Demand) test was conducted using unacclimated settled domestic wastewater as the microbial seed (3 mL/BOD bottle)(1); the results showed a BOD5 of 68% ThOD (percent of theoretical oxygen demand), a BOD10 of 87% ThOD, a BOD15 of 92% ThOD, and a BOD20 of 92% ThOD(1). n-Butyl alcohol, present at 100 mg/L, reached >60% of its theoretical BOD in 4 weeks using an activated sludge inoculum at 30 mg/L in the Japanese MITI test(8).

12.3 Bioaccumulative potential

An estimated BCF of 3 was calculated in fish for n-butyl alcohol(SRC), using a log Kow of 0.88(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

12.4 Mobility in soil

The measured Koc of n-butyl alcohol is reported as 3.2(1). According to a classification scheme(2), this Koc value suggests that n-butyl alcohol is expected to have very high mobility in soil(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: UN1120 IMDG: UN1120 IATA: UN1120

14.2 UN Proper Shipping Name

ADR/RID: BUTANOLS
IMDG: BUTANOLS
IATA: BUTANOLS

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
butan-1-ol butan-1-ol 71-36-3 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 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 : 90 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 90 MHz in CDCl3

Collapse

C4 H10 O 0.04 ml : 0.5 ml CDCl3
1-butanol

Assign. Shift(ppm)
A 3.626
B 2.24
C 1.53
D 1.39
E 0.94

IR : CCl4 solutionExpand
Mass Expand
Raman : 4880 A,200 M,liquidExpand
Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
Administration into the eye Standard Draize test Human 50 ppm -
Administration onto the skin Standard Draize test Rodent - rabbit 405 mg/24H -
Administration onto the skin Standard Draize test Rodent - rabbit 20 mg/24H -
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