Octane 正辛烷

CAS 111-65-9 MFCD00009556

化学结构图

111-65-9
SMILES: CCCCCCCC

化学属性

Mol. FormulaC8H18
Mol. Weight114
Refractive index1.3960 to 1.3990
Boiling Point-
Density0.708
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
Danger-Level甲类
pH-:-
Redox-

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 -

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. 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. Special Specifications 特殊规格产品
  2. Extra Dry Solvents
  3. Supreme Grade
  1. CVD & ALD Precursors