5333-42-6

• 常用中文名：2-辛基十二醇
• 常用英文名：9-Icosanol
• CAS号：5333-42-6
• 分子式：C₂₀H₄₂O
• 分子量：298.547
• 相关类别： 分析化学 分析试剂 离子色谱试剂
• 发布时间：2018-04-06 08:00:00
• 更新时间：2024-01-03 00:56:59
• 下载msds

名称

• 中文名: 2-辛基-1-十二烷醇
• 英文名: 2-Octyldodecan-1-ol
• 中文别名: 2-正辛基-1-月桂醇; 2-正辛基-1-十二烷醇; 2-辛基十二醇
• 英文别名: 9-Icosanol; Icosan-9-ol; EINECS 226-242-9; MFCD01310428; 2-Octyl-1-dodecanol; 2-n-Octyl-1-dodecanol; Octyldodecanol; 9-Eicosanol

物化性质

• 密度: 0.8±0.1 g/cm3
• 沸点: 357.7±10.0 °C at 760 mmHg
• 熔点: -1-1ºC(lit.)
• 分子式: C₂₀H₄₂O
• 分子量: 298.547
• 闪点: 129.7±7.1 °C
• 精确质量: 298.323578
• PSA: 20.23000
• LogP: 9.19
• 蒸汽压: 0.0±1.8 mmHg at 25°C
• 折射率: 1.452
• 储存条件:

  密闭,阴凉干燥处保存，确保有良好的通风

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险发生

• 水溶解性: Practically insoluble in water, miscible with ethanol (96 per cent).
• 计算化学:

  1.疏水参数计算参考值（XlogP）:9.2

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:17

  5.互变异构体数量:无

  6.拓扑分子极性表面积20.2

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:179

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：未确定

  2. 密度（g/mLat 25°C）：0.838

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：-1-1

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,33mmHg）：234-238

  7. 折射率（n20/D）：1.453

  8. 闪点（ºC）：113

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,114.4 ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（MPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Section 1. Chemical Product and Company Identification 2-Octyl-1-dodecanol Common Name/ Trade Name Manufacturer Commercial Name(s) Synonym Chemical Name Chemical Family 2-Octyl-1-dodecanol Section 4. First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention. Skin ContactIn case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention. Serious Skin ContactWash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical attention. InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. Serious InhalationNot available. IngestionDo NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight clothing such as a collar, tie, belt or waistband. Serious IngestionNot available. Section 5. Fire and Explosion Data Flammability of the Product May be combustible at high temperature. Auto-Ignition Temperature 265°C (509°F) Flash PointsCLOSED CUP: 113°C (235.4°F). OPEN CUP: 180°C (356°F). Flammable LimitsNot available. Products of CombustionThese products are carbon oxides (CO, CO2). Fire Hazards in Presence of Slightly flammable to flammable in presence of open flames and sparks, of heat. Various Substances Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available. of Various SubstancesRisks of explosion of the product in presence of static discharge: Not available. Fire Fighting MediaSMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet. Special Remarks onNot available. Fire Hazards Special Remarks on Explosion Not available. Hazards Section 6. Accidental Release Measures Small SpillAbsorb with an inert material and put the spilled material in an appropriate waste disposal. Large SpillAbsorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning by spreading water on the contaminated surface and allow to evacuate through the sanitary system. 2-Octyl-1-dodecanol Section 7. Handling and Storage PrecautionsKeep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the residue under a fume hood. Ground all equipment containing material. Do not breathe gas/fumes/ vapor/spray. Avoid contact with skin. Wear suitable protective clothing. If you feel unwell, seek medical attention and show the label when possible. Keep away from incompatibles such as oxidizing agents, acids. StorageKeep container tightly closed. Keep container in a cool, well-ventilated area. Section 8. Exposure Controls/Personal Protection Engineering ControlsProvide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective threshold limit value. Ensure that eyewash stations and safety showers are proximal to the work-station location. Personal ProtectionSafety glasses or Splash goggles. Synthetic apron or Lab coat. Gloves (impervious). Respiratory protection is not normally required for normal handling of the vapor pressure of this material at room room temperature. If handling material in areas where ventilation is inadequate or under conditions causing excessive airborne levels of mist or vapor, a vapor respirator may be needed. Personal Protection in Case of Splash goggles. Full suit. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a a Large Spillspecialist BEFORE handling this product. Exposure LimitsNot available. Section 9. Physical and Chemical Properties Physical state and appearance Liquid. (Oily liquid.)OdorNot available. Not available. Taste Molecular Weight298.56 g/mole Colorless. Color pH (1% soln/water)Not applicable. Boiling Point290°C (554°F) Melting Point1°C (33.8°F) Critical TemperatureNot available. Specific Gravity0.836 (Water = 1) 1 kPa (@ 207°C) Vapor Pressure Vapor DensityNot available. Not available. Volatility Odor ThresholdNot available. Water/Oil Dist. Coeff.Not available. Ionicity (in Water)Not available. Dispersion PropertiesNot available. SolubilityInsoluble in cold water, hot water. Section 10. Stability and Reactivity Data StabilityThe product is stable. Instability TemperatureNot available. Conditions of InstabilityExcess heat, incompatible materials Incompatibility with various Reactive with oxidizing agents, acids. substances 2-Octyl-1-dodecanol CorrosivityNot available. Special Remarks onIncompatible with inorganic acids, halogens, oxidizers. Reactivity Special Remarks onNot available. Corrosivity PolymerizationWill not occur. Section 11. Toxicological Information Routes of EntrySkin contact. Eye contact. Toxicity to AnimalsLD50: Not available. LC50: Not available. Chronic Effects on Humans Not available. Other Toxic Effects onHazardous in case of skin contact (irritant). HumansSlightly hazardous in case of ingestion, of inhalation. Special Remarks onNot available. Toxicity to Animals Special Remarks onNot available. Chronic Effects on Humans Special Remarks on otherAcute Potential Health Effects: Toxic Effects on HumansSkin: Causes moderate skin to severe skin irritation. Eyes: Causes mild eye irritation. Inhalation: Low hazard for normal handling. Inhalation of high concentrations of vapor or mist may cause respiratory tract irritation. Ingestion: Expected to be a low hazard. Section 12. Ecological Information EcotoxicityNot available. Not available. BOD5 and COD Possibly hazardous short term degradation products are not likely. However, long term degradation products may Products of Biodegradation arise. Toxicity of the ProductsThe product itself and its products of degradation are not toxic. of Biodegradation Not available. Special Remarks on the Products of Biodegradation Section 13. Disposal Considerations Waste DisposalWaste must be disposed of in accordance with federal, state and local environmental control regulations. 2-Octyl-1-dodecanol Section 14. Transport Information DOT ClassificationNot a DOT controlled material (United States). IdentificationNot applicable. Not applicable. Special Provisions for Transport DOT (Pictograms) Section 15. Other Regulatory Information and Pictograms TSCA 8(b) inventory: 2-Octyl-1-dodecanol Federal and State Regulations CaliforniaCalifornia prop. 65: This product contains the following ingredients for which the State of California has found to cause cancer which would require a warning under the statute: No products were found. Proposition 65 Warnings California prop. 65: This product contains the following ingredients for which the State of California has found to cause birth defects which would require a warning under the statute: No products were found. Other RegulationsEINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No. 226-242-9). Canada: Listed on Canadian Domestic Substance List (DSL). China: Listed on National Inventory. Japan: Listed on National Inventory (ENCS). Korea: Listed on National Inventory (KECI). Philippines: Listed on National Inventory (PICCS). Australia: Listed on AICS. WHMIS (Canada) CLASS D-2B: Material causing other toxic effects (TOXIC). Other Classifications DSCL (EEC) R36/38- Irritating to eyes and skin.S26- In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37- Wear suitable protective clothing and gloves. Health Hazard HMIS (U.S.A.)2 National Fire Protection 1 Flammability 1 Association (U.S.A.) Fire Hazard 2 0 Reactivity Health Reactivity 0 Specific hazard Personal Protection C WHMIS (Canada) (Pictograms) DSCL (Europe) (Pictograms) 2-Octyl-1-dodecanol TDG (Canada) (Pictograms) ADR (Europe) (Pictograms) Protective Equipment Gloves (impervious). Synthetic apron. Wear appropriate respirator when ventilation is inadequate. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 皮肤/眼睛刺激性：标准德来塞实验：大鼠皮肤接触，100mg/24HREACTION SEVERITY ，中等反应；标准德来塞实验：兔子皮肤接触，100mg/24HREACTION SEVERITY ，强烈反应；标准德来塞实验：兔子眼睛接触，100mg/24HREACTION SEVERITY ，轻微反应；标准德来塞实验：豚鼠皮肤接触，100mg/24HREACTION SEVERITY ，中等反应； CHEMICAL IDENTIFICATION RTECS NUMBER : JR4240000 CHEMICAL NAME : 1-Dodecanol, 2-octyl- CAS REGISTRY NUMBER : 5333-42-6 BEILSTEIN REFERENCE NO. : 1763479 LAST UPDATED : 199712 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C20-H42-O MOLECULAR WEIGHT : 298.62 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat REFERENCE : CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 94(8),41,1979 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 94(8),41,1979 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit REFERENCE : JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 4(5),1,1985 TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - guinea pig REFERENCE : CTOIDG Cosmetics and Toiletries. (Allured Pub. Corp., POB 318, Wheaton, IL 60189) V.91- 1976- Volume(issue)/page/year: 94(8),41,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2143 No. of Facilities: 2427 (estimated) No. of Industries: 15 No. of Occupations: 18 No. of Employees: 30847 (estimated) No. of Female Employees: 18437 (estimated)

安全

• 个人防护装备: Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-36
• 危险品运输编码: NONH for all modes of transport
• RTECS号: JR4240000
• 海关编码: 2905199090

合成路线

112-30-1 7440-02-0 ~92% 5333-42-6

文献：GAF Corporation Patent: US4830769 A1, 1989 ;

112-30-1 ~43% 5333-42-6

文献：Matsu-Ura, Toyomi; Sakaguchi, Satoshi; Obora, Yasushi; Ishii, Yasutaka Journal of Organic Chemistry, 2006 , vol. 71, # 21 p. 8306 - 8308

872-05-9 ~% 2425-77-6 5333-42-6

文献：US2007/281873 A1, ;

112-31-2 ~% 5333-42-6

文献：Chemische Berichte, vol. 67, p. 1701

112-31-2 100-51-6 ~% 5333-42-6 107613-29-6

文献：Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 204, p. 1656 Annales de Chimie (Cachan, France), , vol. <11> 10, p. 281,369

112-31-2 ~% 112-30-1 5333-42-6

文献：Chemische Berichte, , vol. 67, p. 1703

112-31-2 91-17-8 ~% 112-30-1 5333-42-6

文献：Chemische Berichte, , vol. 67, p. 1703

上下游产品

上游产品  6
112-30-1 7440-02-0 872-05-9 112-31-2
100-51-6 91-17-8
下游产品  7
13287-24-6 1260685-63-9 74051-84-6 78204-54-3
62281-06-5 40596-46-1 86218-06-6

海关

海关编码	2905199090
中文概述	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%