2-Ethylhexanoic acid 2-乙基己酸

CAS 149-57-5 MFCD00002675

化学结构图

149-57-5
SMILES: CCCCC(CC)C(=O)O

化学属性

Mol. FormulaC8H16O2
Mol. Weight144.21
Refractive index1.4230 to 1.4270
Density0.903
Flash Point110°C
TSCAYes
Boiling Point228 °C at 760 mmHg
Melting Point-59 °C
Autoignition Point699 °F
Vapor Density4.98 (vs air)
Vapor Pressure<;0.01 mmHg ( 20 °C)
Solubility微溶于水、醇，溶于醚、热水。
Stability对湿度敏感

别名和识别编码

Chemical Name2-Ethylhexanoic acid
Reaxys-RN1721433
CAS Number149-57-5
Beilstein Registry Number2,349
PubChem Substance ID8697
MDL NumberMFCD00002675
EC Number205-743-6
Synonym 2-Ethylhexanoic acid {LY} 2-Ethylhexanoic acid {} {LY} 2-Ethylhexanoic acid {} {} {LY} 2-Ethylhexanoic acid {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Ethylhexanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Eth
Chemical Name Translation2-乙基己酸
InChIKeyOBETXYAYXDNJHR-UHFFFAOYSA-N
Wiswesser Line NotationQVY4&2
LabNetwork Molecule IDLN00194696
InChIInChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
Canonical SMILESCCCCC(CC)C(O)=O
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分类

  • {SNA} Alphabetical Listings, E-F, Flavors and Fragrances
  • {SNA} A-F, A-L, Acid, Additional Standards, Alpha Sort, Analytical Standards, Animal Products, Cheese, Chromatography, Dairy Products, E, E-L, Environmental Standards, Flavor and Fragrance Standards, Food & Beverage Standards, Food and Cosmetic Component Standards, Organic Pollutant Standards, Standards for Personal Ca
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 有机合成，溶剂。

相关文献及参考

  • Beilstein:2,349

安全信息

RTECSMO7700000
UN Number 3265
Signal word
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P308+P313
  • P305+P351+P338+P310
  • 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。
  • P303+P361+P353
  • P301+P330+P331
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P304+P340+
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H361d Suspected of damaging the unborn child 怀疑对未出生婴儿造成伤害
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H318 Causes serious eye damage 严重伤害眼睛
  • H312 Harmful in contact with skin 皮肤接触有害
  • H303 May be harmfully swallowed 吞食可能有害
Risk Statements
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
GHS Symbol
WGK Germany1
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn
Packing GroupIII
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class8 
TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >400 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       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 6300 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 26,269,1944

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 26,269,1944

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1260 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 11/4/1971

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 630 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 279,75,1992

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1803 mg/kg
SEX/DURATION            : female 12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
   Reproductive - Specific Developmental Abnormalities - cardiovascular
   (circulatory) 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 - rat
DOSE                    : 5 gm/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   20,199,1993

其他信息

  • 上游原料:二氧化锰 --> 2-乙基己醇 --> 正辛醇 --> 丁醛 --> 氧化镉 --> 异辛酸钠 --> 2-乙基-2-己烯醛 --> 2-乙基已基醛
  • 毒性分级:中毒
  • TCI Shanghai:2-乙基己酸 2-Ethylhexanoic Acid,>;98.0%(T)(149-57-5)
  • 下游产品:PVC热稳定剂 --> 异辛酸钠 --> 异辛酸钴 --> 辛酸亚锡 --> 异辛酸钾 --> 异辛酸铅 --> 巯基乙酸异辛酯 --> 2-乙基己酸锌 --> 异辛酸钙 --> 异辛酸铅 --
  • 储运特性:库房通风低温干燥; 与氧化剂分开存储
  • 刺激数据:皮肤-兔 450 毫克 轻度; 眼睛-兔 20 毫克 重度
  • 用途一:主要用于制备各种金属盐作为涂料和油漆的催干剂，其酯类可用作增塑剂和羧苄青霉素的原料
  • MOL 文件:149-57-5.mol
  • 类别:易燃液体
  • 蒸气密度:4.98 (vs air)
  • 微有气味，能溶于醚和热水，微溶于醇,水中溶解度:2 g/L (20°C)
  • Alfa Aesar:2-乙基己酸,99% 2-Ethylhexanoic acid, 99%(149-57-5)
  • 异辛酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30086425 2-乙基己酸
  • F:13
  • 职业标准:TWA 4 毫克/公斤
  • 海关编码:29159080
  • Acros Organics:2-乙基已酸 2-Ethylhexanoic acid, 99+%(1
  • 可燃性危险特性:遇热, 明火易燃; 热分解排出辛辣刺激烟雾
  • 下游产品:PVC热稳定剂 --> 异辛酸钠 --> 异辛酸钴 --> 辛酸亚锡 --> 异辛酸钾 --> 异辛酸铅 --> 巯基乙酸异辛酯 --> 2-乙基己酸锌 --> 异辛酸钙 --> 异辛酸铅 -->
  • 用途二:2-乙基已酸大部分转化为金属锆、钴、钼、锌等的盐，用于油漆催干剂和聚氯乙烯塑料的热稳定剂；锡盐作为塑料管材的添加剂；钡盐、镉盐用于塑料压延产品和稳定剂，2-乙基已酸及其酯类也用于医药、杀菌剂、金属润滑剂、化妆品等方面，其甘油酯是优良的增塑剂。2-乙基已酸是医药羧苄青霉素的原料。还用于许多染料、香料的合成。
  • 外观性质:无色液体，微有气味。
  • 蒸气压:<;0.01 mm Hg ( 20 °C)
  • 急性毒性:口服-大鼠 LD50: 3000 毫克/公斤
  • Sigma Aldrich:149-57-5(sigmaaldrich)
  • 异辛酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30086425 2-乙基己酸;2-乙基次羊脂酸;丁基乙基乙酸;庚烷-3-羧酸;异辛酸
  • 图谱信息:异辛酸(149-57-5)核磁图( 13 CNMR) 异辛酸(149-57-5)质谱(MS) 异辛酸(149-57-5)Raman光谱 异辛酸(149-57-5)红外图谱(IR1) 异辛酸(149-57-5)核磁图( 1 HNMR) 异辛酸(149-57-5)红外图谱(IR2)
  • 方法一:国外一些公司用丁醛为原料，经缩合脱水得到2-乙基已烯醛。1.2-乙基己醇氧化法　由2-乙基己醇在氢氧化钠水溶液中经高锰酸钾氧化生成异辛酸钠，再经硫酸中和制得。原料消耗定额：2-乙基已醇1204kg/t、高锰酸钾3611kg/t、液碱约1500kg/t、硫酸约960kg/t。2.2-乙基己烯醛氧化法　以丙烯羰基合成生产2-乙基己醇的中间产品2-乙基己烯醛为原料，通过选择性加氢制得2-乙基己醛，再经液相氧化生产2-乙基己醇。3.2-乙基己醇催化脱氢酯化法　2-乙基己醇在碱性条件下，以氧化镉、氧化锌、二氧化锰为催化剂，于180-210℃脱氢生成2-乙基己酸酯（异辛酸酯），异辛酸酯经皂化生成相应

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  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. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C8 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C8 - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. E - Alphabetic
  5. EQ - EZ - E
  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 &amp; Beverage Standards - Chromatography
  5. Nutraceuticals - Food &amp; 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. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C7

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