1-Butanethiol
CAS No.: 109-79-5 Formula: C4H10S Molecular Weight: 90.18720
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1-Butanethiol

CAS No.: 109-79-5 Formula: C4H10S Molecular Weight: 90.18720
Suppliers: All (50) China Suppliers (50) Price Available (10) Contractor (4)

Description

Butanethiol, also known as butyl mercaptan, is a volatile, clear to yellowish liquid with a fetid (extremely foul-smelling) odor, commonly described as "skunk" odor. In fact, butanethiol is structurally similar to several major constituents of a skunk's defensive spray but is not actually present in the spray. The scent of butanethiol is so strong that the human nose can easily detect it in the air at concentrations as low as 10 parts per billion. The threshold level for 1-butanethiol is reported as 1.4 ppb

Basic Info

Chemical Name 1-Butanethiol
Synonyms

Butyl Mercaptan; Butyl mercaptan,Mercaptan C4; Butanethiol; 1-Butanethiol; 1-Butanethiol,AcroSeal;

CAS No. 109-79-5
Molecular Formula C4H10S
Molecular Weight 90.18720
PSA 38.80000
LogP 1.71630

Numbering system

MDL number MFCD00004905
BRN number 1730908
RTECS number EK6300000
EINECS number 203-705-3
PubChem number 24847120

Properties

Appearance & Physical State clear liquid
Density 0.84
Boiling Point 98ºC
Melting Point -116ºC
Flash Point 12ºC
Refractive Index 1.442-1.444
Water Solubility 0.60 g/100 mL. Slightly soluble
Stability Stable. Incompatible with oxidizing agents, bases, alkali metals. Highly flammable. May discolour on exposure to air.
Storage Condition Flammables area
Vapor Density 3.1 (vs air)
Vapor Pressure 83 mm Hg ( 37.7 °C)

Safety Info

RTECS EK6300000
Hazard Class 3
Safety Statements S16-S33-S36/37-S9
HS Code 2930909090
WGK Germany 3
Packing Group II
RIDADR UN 2347
Risk Statements R11; R21/22
Hazard Codes F; Xn
Hazard Declaration H225; H302 + H332; H315; H317; H319; H335
Signal Word Danger
Symbol GHS02, GHS07
Caution Statement P210; P261; P280; P305 + P351 + P338
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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 1-Butanethiol

1.2 Other means of identification

Product number -
Other names Butyl Mercaptan

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 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

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H302 Harmful if swallowed

H319 Causes serious eye irritation

H332 Harmful if inhaled

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.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

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.

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
1-Butanethiol 1-Butanethiol 109-79-5 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. Artificial respiration may be needed. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

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. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Inhalation causes loss of sense of smell; muscular weakness. convulsions, and respiratory paralysis may follow prolonged exposure. Contact of liquid with eyes or skin causes slight irritation. Ingestion causes nausea. (USCG, 1999)

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

/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 m1/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Administer activated charcoal ... . Cover skin burns with dry sterile dressings after decontamination ... . /Sulfur and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Alcohol foam. Water may be ineffective.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Irritating sulfur dioxide may form. Behavior in Fire: Vapors are heavier than air and may travel long distance to a source of ignition and flash back. (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! Personal protection: chemical protection suit including self-contained breathing apparatus. 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 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

If n-butyl mercaptan is spilled or leaked, the following steps should be taken: 1. Remove all ignition sources. 2. Ventilate area of spill or leak. 3. For small quantities of liquids contaning n-butyl mercaptan, absorb on paper towels and place in an appropriate container. Place towels in a safe place such as a fume hood for evaporation. Allow sufficient time for evaporation of the vapors so that the the hood ductwork is free from n-butyl mercaptan vapors. Burn the paper in a suitable location away from combustible materials. 4. Large quantities of liquids containing n-butyl mercaptan may be absorbed in vermiculite, dry sand, earth, or a similar material and placed in an appropriate container. n-Butyl mercaptan should not be allowed to enter a confined space such as a sewer because of the possibility of an explosion. 5. Liquids containing n-butyl mercaptan may be collected by vacuuming with an appropriate system. If a vacuum system is used, there should be no sources of ignition in the vicinity of the spill, and flashback prevention devices should be provided.

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 acids.Fireproof. Separated from strong oxidants, acids.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 15 Min Ceiling value: 0.5 ppm (1.8 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 liquid
Colour Colorless liquid
Odour Strong, obnoxious odor
Melting point/ freezing point 58°C(lit.)
Boiling point or initial boiling point and boiling range 98°C(lit.)
Flammability Class IB Flammable Liquid: Fl.P. below 22.78°C and BP at or above 37.78°C.Highly flammable. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 12°C
Auto-ignition temperature <225°C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.56 cP at 20°C
Solubility In water:0.60 g/100 mL. Slightly soluble
Partition coefficient n-octanol/water (log value) log Kow = 2.28
Vapour pressure 83 mm Hg ( 37.7 °C)
Density and/or relative density 0.842g/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

Dangerous by exposure to heat, flame, sparks or powerful oxidizers.The vapour is heavier than air and may travel along the ground; distant ignition possible.BUTYL MERCAPTAN is incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. May liberate hydrogen sulfide upon decomposition or reaction with an acid. Incompatible with strong oxidizing agents (USCG, 1999).

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong oxidizers (such as dry bleaches), acids.

10.6 Hazardous decomposition products

When heated to decomposition it emits /sulfur oxides/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Mouse oral 3000 mg/kg
  • Inhalation: LC50 Mouse inhalation 2500 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

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 Lepomis macrochirus 7.4 mg/L/24 hr /Conditions of bioassay not specified in source examined
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: EC50 Scenedesmus subspicatus (Green algae; growth inhibition) 1068.3-5478.24 mg/L/96 hr; static
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Little information is available in the literature on the biodegradation of 1-butyl mercaptan. Alcaligenes faecalis, a microorganism identified as a member of activated sludge flora, oxidizes 1-butyl mercaptan and other low molecular weight mercaptans(1).

12.3 Bioaccumulative potential

An estimated BCF of 11 was calculated for 1-butyl mercaptan(SRC), using a log Kow of 2.28(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.

12.4 Mobility in soil

The Koc of 1-butyl mercaptan is estimated as 410(SRC), using a log Kow of 2.28(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-butyl mercaptan 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: UN2347 IMDG: UN2347 IATA: UN2347

14.2 UN Proper Shipping Name

ADR/RID: BUTYL MERCAPTAN
IMDG: BUTYL MERCAPTAN
IATA: BUTYL MERCAPTAN

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
1-Butanethiol 1-Butanethiol 109-79-5 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 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 Expand
1H NMR : 90 MHz in CDCl3Expand

NMR Spectrum 1H NMR : 90 MHz in CDCl3

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C4 H10 S 0.04 ml : 0.5 ml CDCl3
1-butanethiol

Assign. Shift(ppm)
A 2.524
B 1.59
C 1.43
D 1.322
E 0.919

IR : liquid filmExpand
Mass spectrum (electron ionization)Expand

GC Analysis

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Capillary DB-5 100. 721.3 isothermal
Capillary DB-5 120. 729.7 isothermal
Capillary DB-5 60. 714.8 isothermal
Capillary DB-5 80. 716.9 isothermal
Packed C78, Branched paraffin 130. 716.6 isothermal
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