2,4,4-TRIMETHYL-2-PENTANETHIOL
Product identifier
- Product name: 2,4,4-TRIMETHYL-2-PENTANETHIOL
- CBnumber: CB4322353
- CAS: 141-59-3
- EINECS Number: 205-490-1
- Synonyms: tert-OCTYL MERCAPTAN,2,4,4-TRIMETHYL-2-PENTANETHIOL
Relevant identified uses of the substance or mixture and uses advised against
- Relevant identified uses: For R&D use only. Not for medicinal, household or other use.
- Uses advised against: none
Company Identification
- Company: Chemicalbook
- Address: Building 1, Huihuang International, Shangdi 10th Street, Haidian District, Beijing
- Telephone: 400-158-6606
Classification of the substance or mixture
Flammable liquids, Category 3
Acute toxicity - Category 3, Oral
Acute toxicity - Category 4, Dermal
Acute toxicity - Category 1, Inhalation
Label elements
Pictogram(s)
-
Signal word
Danger
H226 Flammable liquid and vapour
H301 Toxic if swallowed
H312 Harmful in contact with skin
H330 Fatal if inhaled
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/hearing protection/...
P264 Wash ... thoroughly after handling.
P270 Do not eat, drink or smoke when using this product.
P260 Do not breathe dust/fume/gas/mist/vapours/spray.
P271 Use only outdoors or in a well-ventilated area.
P284 [In case of inadequate ventilation] wear respiratory protection.
P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse affected areas with water [or shower].
P370+P378 In case of fire: Use ... to extinguish.
P301+P316 IF SWALLOWED: Get emergency medical help immediately.
P321 Specific treatment (see ... on this label).
P330 Rinse mouth.
P302+P352 IF ON SKIN: Wash with plenty of water/...
P317 Get medical help.
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.
P316 Get emergency medical help immediately.
P320 Specific treatment is urgent (see ... on this label).
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.
P501 Dispose of contents/container to an appropriate treatment and disposal facility in accordance with applicable laws and regulations, and product characteristics at time of disposal.
Other hazards
no data available
Substance
- Product name: 2,4,4-TRIMETHYL-2-PENTANETHIOL
- Synonyms: tert-OCTYL MERCAPTAN,2,4,4-TRIMETHYL-2-PENTANETHIOL
- CAS: 141-59-3
- EC number: 205-490-1
- MF: C8H18S
- MW: 146.29
Description of first aid measures
If inhaledFresh air, rest. Artificial respiration may be needed. Refer for medical attention.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .
Most important symptoms and effects, both acute and delayed
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)
Indication of any immediate medical attention and special treatment needed
Upon ingestion/ rinse mouth, induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention.
Extinguishing media
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. Cool all affected containers with flooding quantities of water.
Specific Hazards Arising from the Chemical
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: 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 and poison 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)
Advice for firefighters
Use powder, carbon dioxide, foam. In case of fire: keep drums, etc., cool by spraying with water.
NFPA 704
| HEALTH | 2 | Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury (e.g. diethyl ether, ammonium phosphate, iodine) | |
| FIRE | 2 | Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur and multiple finely divided suspended solids that do not require heating before ignition can occur. Flash point between 37.8 and 93.3 °C (100 and 200 °F). (e.g. diesel fuel, sulfur) | |
| REACT | 0 | Normally stable, even under fire exposure conditions, and is not reactive with water (e.g. helium,N2) | |
| SPEC. HAZ. |
Personal precautions, protective equipment and emergency procedures
Personal protection: chemical protection suit including self-contained breathing apparatus. 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.
Environmental precautions
Personal protection: chemical protection suit including self-contained breathing apparatus. 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.
Methods and materials for containment and cleaning up
Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent and remove to safe place. (Extra personal protection: chemical protection suit including self-contained breathing apparatus.)
Precautions for safe handling
NO open flames, NO sparks and NO smoking. Above 46°C use a closed system, ventilation and explosion-proof electrical equipment. Handling in a well ventilated place. Wear suitable protective clothing. Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Use non-sparking tools. Prevent fire caused by electrostatic discharge steam.
Conditions for safe storage, including any incompatibilities
Fireproof. Separated from strong bases, strong acids and oxidants.Fireproof. Separated from strong bases, strong acids and oxidants.
Control parameters
Occupational Exposure limit valuesno data available
no data available
Exposure controls
Ensure adequate ventilation. Handle in accordance with good industrial hygiene and safety practice. Set up emergency exits and the risk-elimination area.
Individual protection measures
Eye/face protectionWear safety goggles or eye protection in combination with breathing protection.
Protective gloves.
Use ventilation, local exhaust or breathing protection.
no data available
Information on basic physicochemical properties
- Physical state
No information available.
- Colour
Colorless liquid
- Odour
no data available
- Melting point/freezing point
262°C(lit.)
- Boiling point or initial boiling point and boiling range
156°C(lit.)
- Flammability
Flammable. Gives off irritating or toxic fumes (or gases) in a fire.
- Lower and upper explosion limit/flammability limit
no data available
- Flash point
46°C(lit.)
- Auto-ignition temperature
no data available
- Decomposition temperature
no data available
- pH
no data available
- Kinematic viscosity
no data available
- Solubility
In water, 31 mg/L at 25 deg C (est)
- Partition coefficient n-octanol/water
log Kow = 4.0 (est)
- Vapour pressure
4.95mmHg at 25°C
- Density and/or relative density
0.837g/cm3
- Relative vapour density
5.0 (Air = 1)
- Particle characteristics
no data available
Reactivity
Decomposes on burning. This produces toxic gases including hydrogen sulfide and sulfur oxides. Reacts violently with oxidants. This generates fire hazard. Reacts with strong acids, strong bases and strong reducing agents. Attacks many metals and rubber.
Chemical stability
no data available
Possibility of hazardous reactions
A flammable liquid when exposed to heat, flame or oxidizers.
Conditions to avoid
no data available
Incompatible materials
Reacts violently with oxidants causing fire hazard. Reacts with strong acids, strong bases and strong reducing agents. Attacks many metals and rubber.
Hazardous decomposition products
When heated to decomposition it emits very toxic fumes of /sulfur oxides/.
Acute toxicity
- Oral: LD50 Rat oral 52 mg/kg
- Inhalation: LD50 Rat inhalation 33 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
The substance is mildly irritating to the eyes. The substance may cause effects on the central nervous system. This may result in convulsions, lowering of consciousness and respiratory depression. Exposure could cause death.
STOT-repeated exposure
no data available
Aspiration hazard
No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20°C.
Toxicity
- Toxicity to fish: no data available
- Toxicity to daphnia and other aquatic invertebrates: no data available
- Toxicity to algae: no data available
- Toxicity to microorganisms: no data available
Persistence and degradability
no data available
Bioaccumulative potential
An estimated BCF of 240 was calculated for t-octyl mercaptan(SRC), using an estimated log Kow of 4.0(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism(SRC).
Mobility in soil
Using a structure estimation method based on molecular connectivity indices(1), the Koc of t-octyl mercaptan can be estimated to be 390(SRC). According to a classification scheme(2), this estimated Koc value suggests that t-octyl mercaptan is expected to have moderate mobility in soil.
Other adverse effects
no data available
Disposal methods
ProductThe 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.
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.
UN Number
ADR/RID: UN3023 (For reference only, please check.)
IMDG: UN3023 (For reference only, please check.)
IATA: UN3023 (For reference only, please check.)
UN Proper Shipping Name
ADR/RID: 2-METHYL-2-HEPTANETHIOL (For reference only, please check.)
IMDG: 2-METHYL-2-HEPTANETHIOL (For reference only, please check.)
IATA: 2-METHYL-2-HEPTANETHIOL (For reference only, please check.)
Transport hazard class(es)
ADR/RID: 6.1 (For reference only, please check.)
IMDG: 6.1 (For reference only, please check.)
IATA: 6.1 (For reference only, please check.)
Packing group, if applicable
ADR/RID: I (For reference only, please check.)
IMDG: I (For reference only, please check.)
IATA: I (For reference only, please check.)
Environmental hazards
ADR/RID: No
IMDG: No
IATA: No
Special precautions for user
no data available
Transport in bulk according to IMO instruments
no data available
Safety, health and environmental regulations specific for the product in question
European Inventory of Existing Commercial Chemical Substances (EINECS)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/
The information in this MSDS is only applicable to the specified product, unless otherwise specified, it is not applicable to the mixture of this product and other substances. This MSDS only provides information on the safety of the product for those who have received the appropriate professional training for the user of the product. Users of this MSDS must make independent judgments on the applicability of this SDS. The authors of this MSDS will not be held responsible for any harm caused by the use of this MSDS.