2-Ethyl-1-hexanol 异辛醇

CAS 104-76-7 MFCD00004746

化学结构图

104-76-7
SMILES: CCCCC(CC)CO

化学属性

Mol. FormulaC8H18O
Mol. Weight130
Density0.833
Refractive index1.4290 to 1.4330
Boiling Point183-186
Melting Point-76
Flash Point78°C(lit.)
TSCAYes
Autoignition Point550 °F
Vapor Density4.49 (vs air)
Vapor Pressure0.2 mmHg ( 20 °C)
Solubility1 G/L (20 ºC)

别名和识别编码

Chemical Name2-Ethyl-1-hexanol
Synonym 'Isooctano (RS)-2-Ethyl-1-hexanol (±)-2-Ethyl-1-hexanol 1-Hexanol, 2-ethyl- 1-hexanol,2-ethyl- 1-辛醇 2-ETHYL-1-HEXANOL 2-ETHYLHEXANOL 2-ETHYLHEXYL ALCOHOL 2-Ethylhexyl alcohol 2-Ethylhexylalkohol 2-ethyl-1-hexano 2-ethyl-hexan-1-ol 2-ethylhexanol-1 2-Äthylhexanol(1) 2-乙基(-1-)己醇 2-乙基-1-己醇;2-乙基己醇 2-乙基-1-已醇 2-乙基乙醇 2-乙基己醇,2-乙基已醇,2-乙基-1-己醇,辛醇 2-乙基已醇 2EH ETHYL-1-HEXANOL, 2- Ethylhexanol ISOOCTANOL Isooctanol OCTANOL OCTYL ALCOHOL Octanol Octyl alcohol 異辛醇 辛醇
CAS Number104-76-7
EC Number203-234-3
Beilstein Registry Number1719280
MDL NumberMFCD00004746
PubChem Substance ID7720
Reaxys-RN1719280
Merck Number3808
Chemical Name Translation异辛醇
Wiswesser Line NotationQ1Y4&2
LabNetwork Molecule IDLN00200234
InChIInChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
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分类

  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} A-F, Alcoholic & Nonalcoholic Beverages, Alcohols, Aliphatic, Alpha Sort, Analytical Standards, Animal Products, Butter, Cheese, Chemical Class, Chromatography, Coffee, Dairy Products, E-L, Environmental Standards, Fatty Alcohol, Food & Beverage Standards, Fruits, Herbs & Spices, Peppermint,
  • {SNA} Alcohols, Building Blocks, C7 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {SNA} Alphabetic
  • {SNA} Alcohols,

产品应用

  • 染料、树脂和油的溶剂, 有机合成, 增塑剂, 去泡剂, 织物丝光处理。

相关文献及参考

  • Short: III/47
  • Merck:14,3808
  • Merck:14,3808 Beilstein:1(4)1783
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany2
Hazard Codes Xn Xn,Xi
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
  • H318 Causes serious eye damage 严重伤害眼睛
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • 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。
  • P302+P350
  • P302+P352+P312+P362+P364
  • P305+P351+P338
  • P308+P313
  • P332+P313
  • P337+P313
  • P370+P378
  • P403+P233
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger Warning
RTECSMP0350000
Risk Statements
  • R20 Harmful by inhalation 吸入有害
  • R21 Harmful in contact with skin 与皮肤接触有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R52/53
Safety Statements
  • 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；
  • 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；
  • 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；
Storage condition 密封阴凉保存。 
TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >2000 ppm/6H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZHYGAM Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete.  (VEB
   Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem.
   Rep.)  V.1-    1955-  Volume(issue)/page/year: 20,575,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURAT

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1670 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,775,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 759 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZHYGAM Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete.  (VEB
   Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem.
   Rep.)  V.1-    1955-  Volume

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 500 umol/L
REFERENCE :
   EVHPAZ EHP, Environmental Health Perspectives.  (U.S. Government Printing
   Office, Supt of Documents, Washington, DC 20402)  No.1-    1972-
   Volume(issue)/page/year: 45,111,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 12 gm/kg
SEX/DURATION            : female 7-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - live birth index (measured after birth)
   Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
   per # born alive)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB85-220143

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1628 mg/kg
SEX/DURATION            : female 12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 35,41,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 12200 mg/kg
SEX/DURATION            : female 6-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
   Reproductive - Effects on Newborn - live birth index (measured after birth)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis.  (Alan R. Liss, Inc.,
   41

其他信息

  • 灭火剂:泡沫、二氧化碳、干粉
  • 溶于多数溶剂，能与醇；醚；氯仿混溶，微溶于水（1g溶于约720倍的水），20℃时在水中的溶解度仅0.1%。与水形成的共沸物，水为20%。低毒，半数致死量（大鼠，经口）12.46ml/kg。有刺激性。
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 中度; 眼- 兔子 20 毫克/ 24小时 中度
  • FEMA:3151
  • 防护措施:毒性不大。大鼠经口LD50为3200～7600mg/kg。要注意
  • 方法二:1.羰基合成法　以丙烯和合成气为原料，经羰基合成反应生成丁醛，两分子丁醛经缩合脱水得2-乙基（-2-）己烯醛，再经加氢得2-乙基（-1-）己醇。2.乙醛缩合法　以乙醛缩合成丁醇醛，脱水得巴豆醛，加氢得正丁醛，然后将两分子正丁醛缩合脱水得2-乙基（-
  • 蒸气密度:4.49 (vs air)
  • 含量分析:按气相色谱法(GT-10)测定。条件为：柱长30m，内径0.32mm。载气氦，压力62.3kPa，流量95ml/min，净化3ml/min。检测器，FID型，温度275℃。试样量1pl。进口温度250℃，柱温80~250℃，IO℃/min。然后按标准化面积的百分率算出含量。 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 常规方法:用镀锌铁桶包装，每桶150kg。按易燃品规定，在低温下贮运，防止曝晒。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允
  • 方法一:由乙醛缩合成丁醇醛，脱水得巴豆醛，加氢得正丁醛，经缩合脱水
  • {Chemi
  • 方法一:由乙醛缩合成丁醇醛，脱水得巴
  • 外观性质:澄清的液体。
  • Alfa Aesar:2-乙基-1-己醇,99% 2-Ethyl-1-hexanol, 99%(104-76-7)
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃; 燃烧排放刺激烟雾
  • 用途四:2-乙基已醇在增塑剂邻域习惯称为辛醇，它是重要的化工原料。国外辛醇除用于生产增塑剂外，还生产丙烯酸辛酯或用作表面活性剂等，主要可用来生产：苯二甲酸二辛酯（DOP）、乙二酸二辛酯（DOA）、偏苯三酸三辛酯（TOTM）、其他增塑剂、丙
  • 用途一:用于生产增塑剂、消泡剂、分散剂、选矿剂和石油填加剂，也用于印染、油漆、胶片等方面
  • 毒性分级:中毒
  • 类别:易燃液体
  • 储运特性:包装完整、轻装轻放; 库房通风、远离明火、高温、与氧化剂分开存放
  • 下游产品:正丁醇 --> 异丁醇 --> 异辛酸 --> 邻苯二甲酸二(2-乙基己)酯 --> 多库脂钠 --> 磺基丁二酸-1,4-二辛酯 --> 二(2-乙基己基)磷酸酯 --> 柴油重油添加剂A型 --> 邻苯二甲酸二正辛酯(DNOP) --> 丙烯酸 2-乙基己酯 --> 马来酸二丁酯 --> 巯基乙酸异辛酯 --> 癸二酸二辛酯 --> 异辛醇聚氧乙烯醚磷酸酯 --> 癸二酸二异辛酯 --> 对苯二甲酸二辛酯 --> 己二酸二辛酯 --> 壬二酸二(2-乙基己基)酯 --> 马来酸二辛酯 --> 磷酸三辛酯 --> 过氧化二碳酸二(2-乙基己基)酯 --> 2-乙基己胺 --> 己二酸二(2-乙基己)酯 --> 癸二酸二异辛酯 --> 三异辛基亚磷酸酯 --> 2-乙基己基二苯基磷酸酯 --> 氯代异辛烷 --> 溴代异辛烷
  • 海关编码:29339990
  • 下游产品:正
  • 防护措施:毒性不大。大鼠经口LD50为3200～7600mg/kg。要注意设备密闭，戴好个人防护用品，保持生产现场通风良好。
  • 蒸气压:0.2 mm Hg ( 20 °C)
  • Sigma Aldrich:104-76-7(sigmaaldrich)
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. E-H - Kosher Certified Products
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. E-F - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  6. C7 to C8 - Alcohols
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Alcohols - Chemical Class
  5. Aliphatic 脂肪烃醇
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Volatiles/ Semivolatiles - Environmental Standards
  6. Alpha Sort - Volatiles/ Semivolatiles
  7. E-L - Alpha Sort
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Volatiles/ Semivolatiles - Environmental Standards
  6. Alpha Sort - Volatiles/ Semivolatiles
  7. E-L - Alpha Sort
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. A-F - Flavors and Fragrances
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols
  6. C2 to C6

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