Octanoic acid 辛酸

CAS 124-07-2 MFCD00004429

化学结构图

124-07-2
SMILES: CCCCCCCC(=O)O

化学属性

Mol. FormulaC8H16O2
Mol. Weight144.21
Refractive index1.4260 to 1.4290
Boiling Point237 °C at 760 mmHg
Density0.91 g/mL at 25 °C(lit.)
Melting Point16 °C
Vapor Density5 (vs air)
Vapor Pressure1 mmHg ( 78 °C)
Flash Point109°C(lit.)
TSCAYes
Solubility0.68 G/L (20 ºC)

别名和识别编码

Chemical NameOctanoic acid
Synonym Octanoic acid {LY} Octanoic acid {} {LY} Octanoic acid {} {} {LY} Octanoic acid {} {} {} {LY} Octanoic acid {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Octanoic acid {} {} {} {} {}
CAS Number124-07-2
PubChem Substance ID379
EC Number204-677-5
Beilstein Registry Number2,347
MDL NumberMFCD00004429
Merck Number1765
Chemical Name Translation辛酸
Reaxys-RN1747180
Wiswesser Line NotationQV7
LabNetwork Molecule IDLN00196394
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
Canonical SMILESCCCCCCCC(O)=O
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分类

  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Curcuma longa (Turmeric), Elettaria Cardamomum (Cardamom), Fatty Acids and conjugates, Fatty Acyls, Ginkgo biloba, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Sambucus nigra (Elderberry), Straight Chain Fatty Acids, Zingiber officinale (Ginger), 生化试剂, 细胞生物学, 脂类, 营养研究
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Kosher Certified Products,
  • {SNA} Alphabetical Listings, Certified F

产品应用

  • 气相色谱分析标准。防腐剂。杀菌剂。香料、染料、增塑剂、润滑剂的制造。

相关文献及参考

  • Short: II/27B
  • Short: II/5
  • Merck: 14,1765 Beilstein:2,347
  • Merck: 14,1765

安全信息

GHS Symbol
WGK Germany1
Hazard Codes C C,Xi
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRH0175000
Precautionary statements
  • P305+P351+P338
  • P304+P340+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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P305+P351+P338+P310
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
  • P304+P340
Signal word Danger
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S25 Avoid contact with eyes 避免眼睛接触;
  • 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;
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护;
  • 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;
  • S36/37/38
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R34 Causes burns 会导致灼伤
Packing GroupIII
UN Number UN3265 3265 UN 3265 8/PG 3
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 {} {} {} {} {} {} {} {} {} {} {
Hazard Class8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher information, see PHTOEH  Volume(issue)/page/year:
   18,141,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/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: 19,237,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10080 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Non-mammalian species Cells - not otherwise specified
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   CHROAU Chromosoma.  (Springer-Verlag New York, Inc., Service Center, 44
   Hartz Way, Secaucus, NJ 07094)  V.1-    1939-  Volume(issue)/page/year:
   40,1,1973

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 5 ppm
REFERENCE :
   ANYAA9 Annals of the New York Academy of Sciences.  (New York Academy of
   Sciences, 2 E. 63rd St., New York, NY 10021)  V.1-    1877-
   Volume(issue)/page/year: 407,186,1983

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Non-mammalian species Cells - not otherwise specified
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   CHROAU Chromosoma.  (Springer-Verlag New York, Inc., Service Center, 44
   Hartz Way, Secaucus, NJ 07094)  V.1-    1939-  Volume(issue)/page/year:
   40,1,1973

其他信息

  • 蒸气压:1 mm Hg ( 78 °C)
  • FEMA:2799
  • 下游产品:正辛醇 --> 环己醇 --> N-甲基辛胺 --> 正辛醛 --> 6-甲氧基-2-萘甲酸 --> 助焊剂 FC-154,碘化三甲基·全氟辛酰胺基丙胺 --> 辛酰溴苯腈 --> 丙三醇辛酯聚氧乙烯醚 --> 辛酰氯 --> 单辛酸甘油酯 --> 轻水泡沫灭火剂 FN-3 --> 辛酸甲酯 --> 甘油基聚环氧乙烷 --> 辛酸异戊酯 --> 辛酸戊酯 --> 辛醇 --> 辛酸庚酯 --> 辛酸-2-丙烯酯 --> 辛酸-2-苯乙酯 --> 辛酸乙酯 --> 辛癸酸甘油酯 --> 辛酸壬酯 --> 胶姆糖软化剂 --> 辛酸己酯 --> 牛血清白蛋白
  • 上游原料:丙二酸 --> 正辛醇 --> 过氧乙酸 --> 椰子油 --> 1-辛烯 --> 柠檬 --> 正辛醛
  • Hazard Note:Irritant
  • 外观性质:无色油状液体或结晶,有不愉快的气味。
  • 蒸气密度:5 (vs air)
  • TCI Shanghai:辛酸 n-Octanoic Acid,>;98.0%(GC)(T)(124-07-2)
  • 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 30035728 正辛酸 500ml 33.1元 2011/08/23 40006661 正辛酸 2ml 23.8元 2011/04/16 O0027 正辛酸 n-Octanoic Acid 25ML 109元
  • Alfa Aesar:辛酸,98+% Octanoic acid, 98+%(124-07-2)
  • 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) 最大允许残留量(g/kg) 辛酸 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 方法二:天然品存在于肉豆蔻、柠檬草、苹果、椰子油、葡萄酒、酒花等中,用挥发性脂肪酸分馏法从椰子油中提取可获得辛酸,工业上生产辛酸是采用辛醛为原料,在实验室制备时采用正己基丙二酸加热放出二氧化碳,减压至4-6.65kPa使反应完全。最后将反应产物减压蒸馏,收集127-129℃(2.13kPa)馏分即为辛酸。收率80-85%。由1-辛烯和过醋酸反应可制得辛酸。此外还有正辛醇氧化脱氢法。
  • 图谱信息:辛酸(124-07-2)核磁图( 13 CNMR) 辛酸(124-07-2)红外图谱(IR1)
  • MSDS 信息:辛酸(124-07-2).msds
  • 用途二:用于染料、香料、医药的合成,制备杀虫剂、杀菌剂、增塑剂等
  • Sigma Aldrich:124-07-2(sigmaaldrich)
  • Acros Organics:正辛酸 Octanoic acid, 99%(124-07-2)
  • 略有不愉快气味。溶于醇和醚,水中溶解度:0.68 g/L (20°C)。
  • 用途三:GB 2760-96规定为允许使用的食用香料;消泡剂。美国ECFR§170.3(O)(2)]准用作干酪包的防腐剂。
  • 用途一:用于有机合成及制药工业
  • 用途五:气相色谱分析标准。防腐剂。杀菌剂。香料、染料、增塑剂、润滑剂的制造。
  • 用途四:用于制造染料、药物、香料等,该品是GB 2760-86规定允许使用的食用香料。还用作杀虫剂、防霉剂、防锈剂、缓蚀剂、发泡剂、消泡剂等。
  • MOL 文件:124-07-2.mol
  • 方法一:用挥发性脂肪酸分馏法从椰子油中提取而得。 由正辛醇氧化而得。

系列性分类