10157-76-3 (对甲苯磺酸十二酯,Dodecyl p-Toluenesulfonate)

CAS号:
10157-76-3
中文名称:
对甲苯磺酸十二酯
英文名称:
Dodecyl p-Toluenesulfonate
分子式:
C19H32O3S
分子量:
340.52058506012

对甲苯磺酸十二酯(10157-76-3)名称与标识符

名称

中文别名:
对甲苯磺酸十二酯;(ALPHAR,2S)-REL-ALPHA-苯基-2-哌啶乙酸乙酯盐酸盐;对甲苯磺酸十二烷基酯;
英文别名:
Dodecyl 4-methylbenzenesulfonate;Dodecyl p-toluenesulfonate;4-Toluenesulfonic acid dodecyl ester;1-Dodecyl p-tosylate;4-Methylbenzenesulfonic acid dodecyl ester;4-methyl-benzenesulfonicacidodecylester;Benzenesulfonic acid,4-methyl-,dodecyl ester;lauryl tosylate;n-C12H25OTs;n-dodecyl p-toluenesulfonate;n-dodecyl tosylate;4-methyl-benzenesulfonic acid dodecyl ester;Dodecyl p-toluenesulfonate,98%;Benzenesulfonic acid, 4-methyl-, dodecyl ester;Dodecylp-toluenesulfonate;SCHEMBL974536;EN300-12621105;dodecyl 4-methylbenzene-1-sulfonate;DTXSID9064978;FT-0636645;AI3-02553;SY316279;Dodecyl 4-methylbenzenesulfonate #;10157-76-3;1-dodecyl tosylate;W18714;AS-14729;AKOS015913777;MFCD00041919;CS-0158104;

标识符

MDL:
MFCD00041919
InChIKey:
QHKNLARMWXIVSM-UHFFFAOYSA-N
Inchi:
1S/C19H32O3S/c1-3-4-5-6-7-8-9-10-11-12-17-22-23(20,21)19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3
SMILES:
S(C1C=CC(C)=CC=1)(=O)(=O)OCCCCCCCCCCCC

对甲苯磺酸十二酯(10157-76-3)物化性质

实验特性

  • LogP : 6.70200
  • PSA : 51.75000
  • 折射率 : 1.493
  • 沸点 : 446.4°Cat760mmHg
  • 熔点 : 28.5-31.5 °C
  • 闪点 : 223.8°C
  • 颜色与性状 : 白色晶体
  • 溶解性 : 溶于醇及石油醚,不溶于水。
  • 密度 : 1.015

计算特性

  • 精确分子量 : 340.20700
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 13
  • 同位素质量 : 340.207
  • 重原子数量 : 23
  • 复杂度 : 365
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 51.8A^2

对甲苯磺酸十二酯(10157-76-3)海关数据

海关编码:
2905199090
海关数据:

中国海关编码:

2905199090

概述:

2905199090. 其他饱和一元醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 包装

Summary:

2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

对甲苯磺酸十二酯(10157-76-3)生产方法和用途

用途:
有机合成中间体。
生产方法:
由对甲苯磺酰氯和十二醇反应得到。反应在吡啶中进行,反应温度不超过20℃,反应时间3h。收率88-90%。

对甲苯磺酸十二酯(10157-76-3)上下游

对甲苯磺酸十二酯(10157-76-3) MSDS

基础信息

Name:Dodecyl p-toluenesulfonate Material Safety Data Sheet
Synonym:Benzenesulfonic acid, 4-methyl-, dodecyl este
CAS:10157-76-3
Section 1 - Chemical Product ? MSDS Name:Dodecyl p-toluenesulfonate Material Safety Data Sheet
Synonym:Benzenesulfonic acid, 4-methyl-, dodecyl este

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
10157-76-3Dodecyl p-toluenesulfonate100unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
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. Get medical aid immediately. 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.
Notes to Physician:

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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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# 10157-76-3: 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: Liquid or Solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 28.50 - 31.50 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C19H32O3S
Molecular Weight: 340.52

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 10157-76-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Dodecyl p-toluenesulfonate - 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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 10157-76-3: No information available.
Canada
CAS# 10157-76-3 is listed on Canada's NDSL List.
CAS# 10157-76-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 10157-76-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A