1.Identification
1.1 GHS Product identifier
| Product name | 2,4,4-trimethylpentane-2-thiol |
|---|
1.2 Other means of identification
| Product number | - |
|---|---|
| Other names | 2,4,4-Trimethyl-2-pentanethiol |
1.3 Recommended use of the chemical and restrictions on use
| Identified uses | For industry use only. |
|---|---|
| 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 3
Acute toxicity - Oral, Category 3
Acute toxicity - Dermal, Category 4
Acute toxicity - Inhalation, Category 1
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |    |
|---|---|
| Signal word | Danger |
| Hazard statement(s) | H226 Flammable liquid and vapour H301 Toxic if swallowed H312 Harmful in contact with skin H330 Fatal 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. 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. |
| 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+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/… P321 Specific treatment (see ... on this label). P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/…if you feel unwell. 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. P310 Immediately call a POISON CENTER/doctor/… P320 Specific treatment is urgent (see ... on this label). |
| Storage | 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. |
| 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 |
|---|---|---|---|---|
| 2,4,4-trimethylpentane-2-thiol | 2,4,4-trimethylpentane-2-thiol | 141-59-3 | 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. Artificial respiration may be needed. Refer for medical attention.
In case of skin contact
Remove contaminated clothes. Rinse and then wash skin with water and soap.
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. Induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention .
4.2 Most important symptoms/effects, 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)
4.3 Indication of immediate medical attention and special treatment needed, if necessary
/Upon ingestion/ rinse mouth, induce vomiting (ONLY IN CONSCIOUS PERSONS!). Refer for medical attention.
5.Fire-fighting measures
5.1 Extinguishing media
Suitable 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.
5.2 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)
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: 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.
6.3 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.)
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 bases, strong acids and oxidants.Fireproof. Separated from strong bases, strong acids and oxidants.
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 | 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°C (est) |
| Partition coefficient n-octanol/water (log value) | 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 |
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
A flammable liquid when exposed to heat, flame or oxidizers.
10.4 Conditions to avoid
no data available
10.5 Incompatible materials
Reacts violently with oxidants causing fire hazard. Reacts with strong acids, strong bases and strong reducing agents. Attacks many metals and rubber.
10.6 Hazardous decomposition products
When heated to decomposition it emits very toxic fumes of /sulfur oxides/.
11.Toxicological information
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
no data available
STOT-repeated exposure
no data available
Aspiration hazard
no data available
12.Ecological information
12.1 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
12.2 Persistence and degradability
no data available
12.3 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).
12.4 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.
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: UN3023 | IMDG: UN3023 | IATA: UN3023 |
14.2 UN Proper Shipping Name
| ADR/RID: 2-METHYL-2-HEPTANETHIOL |
| IMDG: 2-METHYL-2-HEPTANETHIOL |
| IATA: 2-METHYL-2-HEPTANETHIOL |
14.3 Transport hazard class(es)
| ADR/RID: 6.1 | IMDG: 6.1 | IATA: 6.1 |
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 |
|---|---|---|---|
| 2,4,4-trimethylpentane-2-thiol | 2,4,4-trimethylpentane-2-thiol | 141-59-3 | 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) | Not Listed. | ||
| Philippines Inventory of Chemicals and Chemical Substances (PICCS) | Not Listed. | ||
| Vietnam National Chemical Inventory | Not Listed. | ||
| Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) | Not 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/
