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CAS: 112-55-0
European Community (EC) Number: 203-984-1
IUPAC Name: dodecane-1-thiol;toluene
Molecular Formula: C19H34S
DESCRIPTION:
N-dodecane-1-thiol is an alkyl thiol that forms a self-assembled monolayer (SAM) and can be used as an organic source of sulfur with balanced physio-chemical properties.
Dodecane-1-thiol is a colourless liquid organic compound, with a characteristic odour.
N-dodecane-1-thiol is used as a chemical intermediate under strictly controlled conditions.
Products containing dodecane-1-thiol are commercially available to industrial customers only.
N-dodecane-1-thiol is corrosive to the skin and eyes, skin sensitizer and very toxic to the aquatic life with long lasting effects, N-dodecane-1-thiol must be carefully handled and stored to preserve human health and environment.
N-dodecane-1-thiol is colorless or light yellow liquid.
N-dodecane-1-thiol is Soluble in methanol, ether, acetone, benzene, ethyl acetate, insoluble in water.
N-dodecane-1-thiol is flammable in case of open flame and high heat.
N-dodecane-1-thiol is decomposed by high heat to produce toxic sulfide smoke.
N-dodecane-1-thiol is used in the preparation of hydrophobic or mixed self-assembled monolayers.
N-dodecane-1-thiol is also employed as a chain transfer agent for radical polymerization.
Further, N-dodecane-1-thiol is utilized as a polymerization inhibitor in polyurethane and neoprene adhesives, which finds application in the footwear industry.
In addition to this, N-dodecane-1-thiol acts as a protein regenerating agent used for the regeneration of native proteins from mercuribenzoate.
PREPARATION METHOD OF N-DODECANE-1-THIOL:
The bromododecane, thiourea and 95% ethanol were heated to reflux for reaction, and then sodium hydroxide solution was added and heated.
After completion of the reaction, cooling and static stratification, the oil layer is the crude thiol.
The crude product is washed with water, dried, distilled and distilled under reduced pressure, which is the finished product.
CAS: 112-55-0
European Community (EC) Number: 203-984-1
IUPAC Name: dodecane-1-thiol;toluene
Molecular Formula: C19H34S
APPLICATION OF N-DODECANE-1-THIOL:
N-dodecane-1-thiol can be used as a source of sulfur for the synthesis CdS quantum dots (QDs) and lead sulfide nanoparticles (PbS) which find potential applications in energy efficient lighting, solar cells and as ammonium gas sensing agents.
N-dodecane-1-thiol may be used to form a self-assembled monolayer (SAM) on copper surface as a corrosion resistant coating.
Functionalization with DDT may form SAMs on geranium (Ge) to improve the surface characteristics for futuristic applications in microelectronics.
N-dodecane-1-thiol is used for the production of hydrophobic SAMs.
N-dodecane-1-thiol can also be used in mixed SAMs to give a hydrophobic background and act as a spacer to move other functional groups or domains farther apart.
N-dodecane-1-thiol has a variety of applications in the chemical, pharmaceutical, agrochemical synthesis.
N-dodecane-1-thiol is a chain transfer agent used to control polymer molecular weight in radical polymerization processes, including synthetic rubbers (SBR, polychloroprene), polyacrylics (PMMA & coatings), ABS & other polymers such as polyvinyl acetate and polyvinylchloride (PVC).
N-dodecane-1-thiol is also used as a chemical reactant in the manufacturing of antioxidants for polyolefins.
N-dodecane-1-thiol is formulated as a tertiary collector in flotation processes for recovery of sulfide ores.
In organic synthesis, N-dodecane-1-thiol performs all the standard reactions of primary mercaptans, such as addition on double bonds, reactions with aldehydes and ketones to give thioacetals (mercaptals) and thioketals, respectively, formation of metal-mercaptide salts.
N-dodecane-1-thiol is used as a relative molecular mass regulator in the polymerization of synthetic rubber, synthetic fiber and synthetic resin, and is also used as a stabilizer for polyvinyl chloride, a raw material for a bactericide, a detergent and the like.
N-dodecane-1-thiol is used for the preparation of hydrophobic or mixed self-assembling monolayers. Furthermore, N-dodecane-1-thiol serves as a polymerization inhibitor in polyurethane and neoprene adhesives (e.g. in the shoe industry) and as a very effective and widely used chain transfer agent for radical polymerizations
CAS: 112-55-0
European Community (EC) Number: 203-984-1
IUPAC Name: dodecane-1-thiol;toluene
Molecular Formula: C19H34S
CHEMICAL AND PHYSICAL PROPERTIES OF N-DODECANE-1-THIOL:
Molecular Weight: 294.5
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 10
Exact Mass: 294.23812226
Monoisotopic Mass: 294.23812226
Topological Polar Surface Area: 1 Ų
Heavy Atom Count: 20
Formal Charge: 0
Complexity: 123
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 2
Compound Is Canonicalized: Yes
vapor density: 7 (vs air)
Quality Level:200
Assay:≥98%
refractive index:n20/D 1.459 (lit.)
bp:266-283 °C (lit.)
Density:0.845 g/mL at 25 °C (lit.)
Physical state: Liquid at 20°C and 1013 hPa
Colour: Colourless
Odour: Stinging, characteristic
Density: 0.85 at 20°C
Vapour pressure: 0.33 kPa at 25°C
Freezing / boiling points: -7°C / 275°C at 1013hPa
Flammability: Not flammable based on flash point
Flash point: 127°C
Self-ignition temperature: 212°C at 1013 hPa (through analogy with a comparable product)
Explosive properties: Not explosive due to chemical structure
Oxidizing properties:Not oxidising due to chemical structure
Water solubility: 0.225 mg/L at 25°C
Octanol-water partition coefficient (Log Kow): > 6.5 at 25°C
Molar Mass: 202.4
Density: 0.841g/cm3
Melting Point -7℃
Boling Point: 275.3°C at 760 mmHg
Flash Point: 87.8°C
JECFA Number: 1924
Water Solubility: IMMISCIBLE
Vapor Presure: 0.00861mmHg at 25°C
Vapor Density: 7 (vs air)
Appearance: Liquid
Color: Clear
Exposure Limit ACGIH: TWA 0.1 ppm
NIOSH: Ceiling 0.5 ppm(4.1 mg/m3)
Maximum wavelength(λmax): 205nm(lit.)
BRN: 969337
pKa: 10.49±0.10(Predicted)
Storage Condition. Store below +30°C.
Sensitive: Air Sensitive
Refractive Index: 1.456
Density: 0.845
melting point: -7°C
boiling point: 266-283°C
refractive index: 1.458-1.46
flash point: 87°C
water-soluble: IMMISCIBLE
CAS: 112-55-0
European Community (EC) Number: 203-984-1
IUPAC Name: dodecane-1-thiol;toluene
Molecular Formula: C19H34S
SAFETY INFORMATION ABOUT N-DODECANE-1-THIOL:
Exposure:
Human health:
The most likely route of human exposure (workers) to N-dodecane-1-thiol is through inhalation and/or to a much lesser extent dermal contact.
In industrial settings, ingestion is not an anticipated route of exposures.
N-dodecane-1-thiol is industrially manufactured and used within closed systems, under strictly controlled conditions, thus minimizing the occupational exposure potential.
Procedures, controls, collective and personal risk management measures are in place, which limit the occupational exposure.
Workers who might accidentally come into contact with the undiluted substance should follow the safety measures recommended in the Safety Data Sheet.
When used under strictly controlled conditions as recommended in the Safety Data Sheet, exposure is negligible and thus risks acceptable.
Environment:
Based on its physico-chemical properties, N-dodecane-1-thiol is not soluble in water and is expected to volatilise significantly from the aquatic compartment.
N-dodecane-1-thiol is not readily biodegradable and is expected to strongly adsorb on soil and sediment particles.
No data is available for characterizing its bioaccumulation potential and thus no conclusion can be reached for the PBT assessment of this substance.
N-dodecane-1-thiol is industrially manufactured and used in closed systems in a continuous or batch process and consumed when used as an intermediate, minimizing release to the environment.
Procedures, controls and risk management measures are in place, to limit the environmental exposure.
When used under strictly controlled conditions as recommended in the Safety Data sheet, releases to the environment are negligible and thus risks are acceptable.
More information about release measures and accidental release measures are available in the safety data sheet.
First aid measures:
Eye contact: Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
Skin contact: Wash off with soap and plenty of water.
Consult a physician.
Inhalation: If breathed in, move person into fresh air.
If not breathing, give artificial respiration.
Consult a physician.
Ingestion: Never give anything by mouth to an unconscious person.
Rinse mouth with water.
Consult a physician.
General advice: Consult a physician.
Show this safety data sheet to the doctor in attendance.
Move out of dangerous area.
Firefighting measures:
Flammability of the product: Flammable in the presence of a source of ignition when the temperature is above the flash point.
Auto-ignition temperature: 230 °C (446 °F)
Flash point: 128 °C (262 °F)
Products of combustion: Hazardous decomposition products formed under fire conditions: Carbon oxides, sulphur oxides.
Firefighting media and instructions: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special protective equipment for firefighters: Wear self-contained breathing apparatus for firefighting if necessary
Accidental release measures:
Personal precautions: Use personal protective equipment.
Avoid breathing vapours, mist or gas.
Ensure adequate ventilation.
Environmental precautions: Do not let product enter drains.
Discharge into the environment must be avoided.
Methods for cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.
Handling and storage:
Handling: Avoid contact with skin and eyes.
Avoid inhalation of vapour or mist.
Provide appropriate exhaust ventilation.
Storage: Store at room temperature.
Adequate ventilation.
Exposure Controls, Personal Protections:
Engineering controls: Use mechanical exhaust or laboratory fumehood to avoid exposure.
Eyes: Safety glasses with side-shields conforming to NIOSH (US) or EN 166 (EU).
Respiratory: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls.
If the respirator is the sole means of protection, use a full-face supplied air respirator.
Use respirators and components tested and approved under appropriate government standards such as NIOSH (US).
Hands: Handle with gloves.
Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
Skin/body: Impervious clothing.
The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Stability and reactivity:
Stability and reactivity: Stable under recommended storage conditions.
Incompatibility: Strong oxidizing agents, strong bases, alkali metals.
Products of combustion: Hazardous decomposition products formed under fire conditions: Carbon oxides, sulphur oxides.
CAS: 112-55-0
European Community (EC) Number: 203-984-1
IUPAC Name: dodecane-1-thiol;toluene
Molecular Formula: C19H34S
SYNONYMS OF N-DODECANE-1-THIOL:
MeSH Entry Terms:
1-dodecanethiol
Dodecylmercaptan
Depositor-Supplied Synonyms:
1-DODECANETHIOL
Dodecane-1-thiol
112-55-0
Dodecyl mercaptan
Dodecanethiol
n-Dodecanethiol
Lauryl mercaptan
n-Dodecyl mercaptan
N-Dodecylmercaptan
1-Mercaptododecane
n-Lauryl mercaptan
1-Dodecyl mercaptan
Dodecylmercaptan
Pennfloat M
Pennfloat S
n-Dodecylthiol
Dodecylthiol
NSC 814
NCI-C60935
UNII-S8ZJB6X253
S8ZJB6X253
1322-36-7
1-dodecylthiol
DSSTox_CID_5220
Lauryl mercaptide
DSSTox_RID_77706
DSSTox_GSID_25220
M-Lauryl mercaptan
M-Dodecyl mercaptan
Tris(dodecylthio)antimony
Stibine, tris(dodecylthio)-
Dodecyl mercaptan (VAN)
CAS-112-55-0
CCRIS 743
1-Dodecanethiol, antimony(3+) salt
HSDB 1074
EINECS 203-984-1
BRN 0969337
dodecanthiol
laurylmercaptan
Thioantimonic acid (H3SbS3), tridodecyl ester
dodecane thiol
1-dodecanthiol
AI3-07577
dodecyl-mercaptan
1-dodecane thiol
1-dodecylmercaptan
n-dodecyl-mercaptan
Dodecanethiol-(1)
MFCD00004885
normal dodecylmercaptan
normal dodecyl mercaptan
6939-83-9
EC 203-984-1
1-Dodecanethiol, >=98%
SCHEMBL15369
NSC814
CHEMBL3185403
DTXSID6025220
NSC-814
NSC11884
Tox21_201758
Tox21_303101
NSC-11884
NSC229570
STL483072
ZINC59144932
WLN: 12S-SB-S12&S12
AKOS015960383
NSC-229570
NCGC00249113-01
NCGC00257179-01
NCGC00259307-01
BP-10739
LS-14165
1-Dodecanethiol, purum, >=97.0% (GC)
DB-021314
D0970
FT-0607709
FT-0693266
FT-0694976
Q161619
J-504580
30237-11-7
