双十六烷基二硫化物 | 1561-75-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 有机二硫化物
• 中文名称: 双十六烷基二硫化物
• 英文名称: dihexadecyl disulfide
• 英文别名: di(n-hexadecyl)disulfide；di-n-hexadecyl disulfide；dihexadecane disulfide；dihexadecyldisulfide；dihexadecyldisulfane；Dihexadecyl-disulfid；Disulfide, dihexadecyl；1-(hexadecyldisulfanyl)hexadecane
• CAS: 1561-75-7
• 化学式: C₃₂H₆₆S₂
• 分子量: 515.008
• InChiKey: GUBWMRCVCQFLOJ-UHFFFAOYSA-N

物化性质

• 熔点：
  53-56 °C
• 沸点：
  576.7±19.0 °C(Predicted)
• 密度：
  0.880±0.06 g/cm3(Predicted)
• 闪点：
  110 °C

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  34
• 可旋转键数：
  31
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 危险品运输编号：
  UN 3335
• WGK Germany：
  3
• 海关编码：
  2930909090
• 安全说明：
  S26

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Dihexadecyl disulfide
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 1561-75-7
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), H335
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R36/37/38
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards
Stench.

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SECTION 3: Composition/information on ingredients
Substances
Formula : C32H66S2
Molecular Weight : 515,00 g/mol
CAS-No. : 1561-75-7
EC-No. : 216-338-9
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Dihexadecyl disulphide
CAS-No. 1561-75-7 Skin Irrit. 2; Eye Irrit. 2; STOT <= 100 %
EC-No. 216-338-9 SE 3; H315, H319, H335
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Dihexadecyl disulphide
CAS-No. 1561-75-7 Xi, R36/37/38 <= 100 %
EC-No. 216-338-9
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
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.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Recommended storage temperature: 2 - 8 °C
Handle and store under inert gas. Moisture sensitive.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
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
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.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 53 - 56 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point > 110 °C - closed cup
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: 3335
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Aviation regulated solid, n.o.s. (Dihexadecyl disulphide)
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: 9
Packaging group
ADR/RID: - IMDG: - IATA: III
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  双十六烷基二硫化物 在 双氧水 、 溶剂黄146 作用下， 生成 1-十六烷硫代磺酸S-十六烷基酯
  参考文献：
  名称：

  Preparation of Alkyl Thiolsulfinates, Thiolsulfonates, and α-Disulfones¹

  摘要：

  DOI：

  10.1021/jo01050a080
• 作为产物：
  描述：

  1-十六烷硫醇 在 polystyrene-bound diaryl selenoxide 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以97%的产率得到双十六烷基二硫化物
  参考文献：
  名称：

  聚合物负载的二芳基硒氧化物和碲氧化物作为温和的选择性氧化剂

  摘要：

  已经制备了聚苯乙烯结合的二芳基硒氧化物和碲氧化物，它们作为硫醇到二硫化物、膦到氧化膦、对苯二酚和邻苯二酚到对和邻苯醌以及硫酮到氧代化合物的温和氧化剂。碲氧化物在比硒氧化物更短的时间内或在更温和的条件下完成这些反应。此外，他们还影响了硫代酰胺与 1,2,4-噻二唑或腈的新型溶剂依赖性反应，包括硫脲。在非酸性溶剂中，脱硫生成腈优先于氧化二聚生成 1,2,4-噻二唑，但酸性溶剂（如乙酸）促进了后者的反应。

  DOI：

  10.1246/bcsj.59.879

文献信息

• N-Phenyltriazolinedione as an efficient, selective, and reusable reagent for the oxidation of thiols to disulfides
  作者：Angelos Christoforou、Georgia Nicolaou、Yiannis Elemes

  DOI：10.1016/j.tetlet.2006.10.134

  日期：2006.12

  N-Phenyltriazolinedione is an efficient and chemoselective reagent for the oxidation of thiols to their corresponding symmetrical disulfides. The method is applicable to aromatic, aliphatic, and bi-functional thiols. The one-pot reaction takes a few minutes (in most cases studied) for completion and after a simple work-up affords the corresponding symmetrical disulfides in very good to excellent yields

  N-苯基三唑啉二酮是一种有效的化学选择性试剂，可将硫醇氧化成其相应的对称二硫化物。该方法适用于芳族，脂族和双官能硫醇。一锅法反应需要几分钟（在大多数情况下都是研究完成）的完成，并且在简单的后处理后，即可以非常好的至极好的收率得到相应的对称二硫化物。此外，在不存在用于液体硫醇的溶剂的情况下，可以以相同的结果进行反应。
• Water Accelerated Sm/TMSCl Reductive System: Debromination of<i>VIC</i>—Dibromides and Reduction of Sodium Alkyl Thiosulfates
  作者：Xiaoliang Xu、Ping Lu、Yongmin Zhang

  DOI：10.1080/00397910008087241

  日期：2000.6

  Abstract A simple and efficient method for the debromination of vic-dibromides to (E)-alkenes and reduction of sodium alkyl thiosulfates to disulfides promoted by Sm/TMSCl/H2O (trace) has been described.

  摘要 描述了一种在 Sm/TMSCl/H2O（痕量）促进下将 vic-二溴化物脱溴为 (E)-烯烃和将烷基硫代硫酸钠还原为二硫化物的简单有效方法。
• MILD AND SELECTIVE OXIDATIONS WITH POLYSTYRENE-BOUND DIARYL SELENOXIDE
  作者：Nan Xing Hu、Yoshio Aso、Tetsuo Otsubo、Fumio Ogura

  DOI：10.1246/cl.1985.603

  日期：1985.5.5

  Polystyrene-bound diaryl selenoxide is shown to behave as a mild oxidizing agent for thiol to disulfide, sulfide to sulfoxide, phosphine to phosphine oxide, and hydroguinone to benzoguinone. In add...

  聚苯乙烯结合的二芳基硒氧化物被证明是硫醇生成二硫化物、硫化物生成亚砜、膦生成氧化膦和氢醌生成苯醌的温和氧化剂。另外...
• Bis(<i>p</i>-methoxyphenyl) Selenoxide as a Mild and Selective Oxidizing Agent
  作者：Fumio Ogura、Hachiro Yamaguchi、Tetsuo Otsubo、Hiroyuki Tanaka

  DOI：10.1246/bcsj.55.641

  日期：1982.2

  The title compound oxidized thiols to disulfides, sulfides to sulfoxides, hydroquinone or catechol to benzoquinones, and phosphine to phosphine oxide in high yields under very mild conditions. In addition, it functioned as a useful reagent for the syntheses of 1,2,4-thiadiazole derivatives from thioureas or thioamides.

  标题化合物在非常温和的条件下以高产率将硫醇氧化为二硫化物，将硫化物氧化为亚砜，将氢醌或邻苯二酚氧化为苯醌，并将膦氧化为氧化膦。此外，它还可用作从硫脲或硫代酰胺合成 1,2,4-噻二唑衍生物的有用试剂。
• BINOL accelerated Ru(II)-catalyzed regioselective C-H functionalization of arenes with disulfides and diselenides
  作者：RAGHUNATH BAG、TANUMAY SARKAR、SUNDARAVEL VIVEK KUMAR、KANGKAN TALUKDAR、THARMALINGAM PUNNIYAMURTHY

  DOI：10.1007/s12039-019-1709-3

  日期：2019.12

  to 7-azaindoles is described with disulfides and diselenides under air. The thioether can be readily oxidized to sulfoxide and sulfone. The use of less expensive Ru-catalysis, substrate scope and scale-up are the important practical features. Graphical AbstractRu-catalyzed ortho-selective C-H coupling of arenes tethered to 7-azaindoles with disulfides and diselenides has been accomplished under air.

  摘要描述了在空气中与二硫化物和二硒化物一起被束缚在7-氮杂吲哚上的芳烃的BINOL加速的Ru催化的邻选择性CH偶联。硫醚很容易被氧化成亚砜和砜。重要的实用功能是使用较便宜的Ru催化，底物范围和按比例放大。 图形概要已经在空气中完成了Ru催化的拴在7-氮杂吲哚上的芳烃与二硫键和二硒键的邻位选择性CH偶联。重要的实用功能是使用较便宜的Ru催化，底物范围和按比例放大。