5-tert-Butyl-2-methylthiophenol

Modify Date: 2024-01-09 09:46:30

5-tert-Butyl-2-methylthiophenol Structure
5-tert-Butyl-2-methylthiophenol structure
Common Name 5-tert-Butyl-2-methylthiophenol
CAS Number 7340-90-1 Molecular Weight 180.31000
Density 0.984 Boiling Point 260ºC
Molecular Formula C11H16S Melting Point -10ºC
MSDS N/A Flash Point 116ºC

 Names

Name 4-Tert-Butyl-2-Mercaptotoluene
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.984
Boiling Point 260ºC
Melting Point -10ºC
Molecular Formula C11H16S
Molecular Weight 180.31000
Flash Point 116ºC
Exact Mass 180.09700
PSA 38.80000
LogP 3.58120
Appearance of Characters Liquid | Clear colorless
Index of Refraction 1.5470

 MSDS

Name: 2-Methyl-5-tert-butylthiophenol 93% remainder isomer Material Safety Data Sheet
Synonym: 5-(1,1-Dimethylethyl)-2-methylthiophenol; 2-Methyl-5-(1,1-dimethylethyl)thiopheno
CAS: 7340-90-1
Section 1 - Chemical Product MSDS Name:2-Methyl-5-tert-butylthiophenol 93% remainder isomer Material Safety Data Sheet
Synonym:5-(1,1-Dimethylethyl)-2-methylthiophenol; 2-Methyl-5-(1,1-dimethylethyl)thiopheno

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7340-90-1 2-Methyl-5-tert-butylthiophenol 93 unlisted
Hazard Symbols: XI
Risk Phrases: 36/38 51 53

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes and skin. Toxic to aquatic organisms. May cause long-term adverse effects in the aquatic environment.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Water may be ineffective. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7340-90-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 260 deg C @ 760.00mm Hg
Freezing/Melting Point: -10 deg C
Autoignition Temperature: Not applicable.
Flash Point: 123 deg C ( 253.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: .9800g/cm3
Molecular Formula: C11H16S
Molecular Weight: 180.31

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
No information found..
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7340-90-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methyl-5-tert-butylthiophenol - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/38 Irritating to eyes and skin.
R 51 Toxic to aquatic organisms.
R 53 May cause long-term adverse effects in the
aquatic environment.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37/39 Wear suitable gloves and eye/face
protection.
S 56 Do not discharge into drains or the
environment, dispose to an authorised waste collection
point.
WGK (Water Danger/Protection)
CAS# 7340-90-1: 2
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7340-90-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7340-90-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi
Risk Phrases 36/38-51/53
Safety Phrases 26-37/39-61
RIDADR UN 3082
Packaging Group III
Hazard Class 9.0
HS Code 2930909090

 Synthetic Route

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5-tert-Butyl-2-methylthiophenol Structure

5-tert-Butyl-2-...

CAS#:7340-90-1

Literature: Journal of Organic Chemistry, , vol. 66, # 13 p. 4504 - 4510

 Precursor & DownStream

Precursor  1

DownStream  0

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

MFCD00142942
5-tert-butyl-2-methylbenzenethiol