Octane 正辛烷

CAS 111-65-9 MFCD00009556

化学结构图

111-65-9
SMILES: CCCCCCCC

化学属性

Refractive index1.3960 to 1.3990
Boiling Point-
Melting Point-57
Autoignition Point428 °F
Vapor Density3.9 (vs air)
Vapor Pressure11 mmHg ( 20 °C)
Flash Point-
Solubility不溶于水，溶于乙醇、乙醚、苯、丙酮等多数有机溶剂。
TSCAYes
Stability对湿度敏感
Density0.708
Mol. FormulaC₈H₁₈
Mol. Weight114.23
Danger-Level甲类

别名和识别编码

Chemical NameOctane
Synonym #nn-Octane 1-Octane n-Octan ALKANE C8 C8H18 (octane) N-OCTANE N-OCTANE, 1000MG, NEAT Normal octane OCTANE OCTANE FRACTION OCTANE, ANHYDROUS, 99+% OCTANE,N- Oatane Octane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number111-65-9
PubChem Substance ID87574124
EC Number203-892-1
Beilstein Registry Number1696875
MDL Number-
Merck Number6749
Reaxys-RN1696875
Chemical Name Translation正辛烷
Wiswesser Line Notation8H
LabNetwork Molecule IDLN00162828
Canonical SMILES-
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分类

  • {SNA} Alphabetical Index of Analytical Standards, Alpha Sort, Analytical Standards, Analytical/Chromatography, Chromatography, Environmental Standards, N-O, O, Volatiles/ Semivolatiles
  • {SNA} Amber Glass Bottles, Analytical Reagents for General Use,
  • {SNA} Anhydrous Solvents, Phytochemicals by Plant (Food/Spice/Herb),

产品应用

  • 溶剂。有机合成。气相色谱分析标准。

相关文献及参考

  • Short: II/27B
  • Merck:14,6749
  • Short: II/5
  • Merck:14,6749 Beilstein: 1,IV,412
  • Short: III/23a

安全信息

GHS Symbol
WGK Germany2
Hazard Codes 3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H315 Causes skin irritation 会刺激皮肤
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRG8400000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P310
  • P301+P310+P331
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P307+P311
  • P331 Do NOT induce vomiting.. 不要催吐。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P370+P378
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S29 Do not empty into drains 不要排入下水道；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐：立即求医并出示该容器或标签；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R38 Irritating to skin 刺激皮肤
  • R50/53
  • R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
  • R67 Vapours may cause drowsiness and dizziness 蒸汽可能导致嗜睡和昏厥
Packing GroupII
UN Number 1262
Hazard Class3
Storage condition 4°C Flammables area 密封阴凉保存。
Warnings 危化品目录(2015) 
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 118 gm/m3/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(10),23,1988

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 428 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher information, see PHTOEH  Volume(issue)/page/year:
   37,56,1975

Restrict 危险品

其他信息

  • 灭火剂:干粉、泡沫, 二氧化碳, 干粉
  • 毒性分级:低毒
  • MSDS 信息:辛烷(111-65-9).msds
  • 爆炸物危险特性:与空气混合可爆
  • 用途一:是工业用汽油成分之一，还可用作溶剂和有机合成原料
  • 正辛烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80095590 正辛烷 99％ 500ml 630元 2011/08/23 80095528 正辛烷 500ml 36元 2011/08/23 40037661 正辛烷 2ml 65元
  • 方法一:辛烷存在于石油中。实验室制备可由溴丁烷合成。取68.5g（0.5mol）溴丁烷，分次加到盛有23g（1mol）细条状金属钠的烧瓶中，若不反应，可稍加热。加完后，将反应物放置1-2h，再加乙醇和水回流3h，使示反应溴丁烷水解，分出上层有机相，经水洗涤、用无水硫酸镁干燥后，分馏收集1.23-126℃馏分，得15g正辛烷。
  • 类别:易燃液体
  • 用途三:用于有机合成。色谱分析参比液。
  • 蒸气密度:3.9 (vs air)
  • Alfa Aesar:正辛烷,98+% n-Octane, 98+%(111-65-9)
  • 上游原料:钠 --> 溴丁烷
  • 用途四:溶剂。有机合成。气相色谱分析标准。
  • 职业标准:TWA 1450 毫克/立方米; STEL 1750 毫克/立方米
  • 能与醚、苯、石油醚及汽油混溶，溶于乙醇和丙酮，不溶于水，水中溶解度:0.0007 g/L (20°C)，。易燃，蒸气能与空气形成爆炸性混合物，爆炸极限0.84%-3.2%(体积)。高浓度时有麻醉性。有刺激性。
  • 可燃性危险特性:易燃; 燃烧产生刺激烟雾
  • 蒸气压:11 mm Hg ( 20 °C)
  • TCI Shanghai:辛烷[用于高效液相色谱的溶剂] n-Octane [for HPLC Solvent],>;98.5%(GC)(111-65-9)
  • 储运特性:库房低温通风干燥; 防明火; 火花; 摩擦; 与氧化剂分开存放
  • 图谱信息:正辛烷(111-65-9)质谱(MS) 正辛烷(111-65-9)红外图谱(IR2) 正辛烷(111-65-9)Raman光谱 正辛烷(111-65-9)核磁图( 1 HNMR) 正辛烷(111-65-9)核磁图( 13 CNMR) 正辛烷(111-65-9)红外图谱(IR1)
  • 急性毒性:吸入- 大鼠 LC50: 118000 毫克/ 立方米/4小时
  • 下游产品:二碳酸二叔丁酯 --> 3-(4-甲氧基-6-甲基-1,3,5-三嗪-2-基)-1-(2-甲氧基甲酰基苯基)磺酰脲 --> (+/-)-5-苯甲酰基-2,3-二氢-1H-吡咯并吡咯烷-1-甲酸 --> 莫西沙星 --> N-辛基-二氨乙基甘氨酸盐酸盐
  • Acros Organics:正辛烷 n-Octane, extra pure, 99+%(111-65-9)
  • 外观性质:无色透明液体。
  • 用途二:用作溶剂及色谱分析参比液
  • MOL 文件:111-65-9.mol
  • Sigma Aldrich:111-65-9(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Organometallic Reagents 金属有机试剂
  3. Grignard Reagents 格氏试剂
  1. Chemical Synthesis 化学合成
  2. Organometallic Reagents 金属有机试剂
  3. Grignard Reagents 格氏试剂
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Solvent by Application - Solvents
  4. Anhydrous Solvents - Solvent by Application
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Zingiber officinale (Ginger) - Phytochemicals by Plant (Food/Spice/Herb)
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. O - Alphabetic
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkanes 烷烃
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Solvent Packaging Options - Solvents
  4. Solvent Bottles - Solvent Packaging Options
  5. Amber Glass Bottles - Solvent Bottles
  6. Reagent - Amber Glass Bottles
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Solvent by Application - Solvents
  4. ACS and Reagent Grade Solvents - Solvent by Application
  5. Reagent Grade Solvents - ACS and Reagent Grade Solvents
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Analytical Reagents for General Use - Analytical Reagents
  4. Puriss p.a. - Analytical Reagents for General Use
  5. O-P, Puriss p.a. - Puriss p.a.
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkanes 烷烃
  5. Acyclic - Alkanes
  1. Analytical & Chromatography 分析化学与色谱
  2. Standard Materials for GC
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents for HPLC & Spectrophotometry
  1. Analytical & Chromatography 分析化学与色谱
  2. Adsorbents, Filter Aids and Drying Agents
  3. Other Drying Agents
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Anhydrous Grade Solvents 超干溶剂
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Anhydrous Grade Solvents 超干溶剂
  1. Special Specifications 特殊规格产品
  2. Extra Dry Solvents
  3. Supreme Grade
  1. Chemical Synthesis 化学合成
  2. Others
  1. Chemical Synthesis 化学合成
  2. Others
  1. Chemical Synthesis 化学合成
  2. Others
  1. Chemical Synthesis 化学合成
  2. Others
  1. Chemical Synthesis 化学合成
  2. Others
  1. Chemical Synthesis 化学合成
  2. Others