Decanoic acid 正癸酸

CAS 334-48-5 MFCD00004441

化学结构图

334-48-5
SMILES: CCCCCCCCCC(=O)O

化学属性

Mol. FormulaC10H20O2
Mol. Weight172.27
Density0.893
Boiling Point268-270 °C at 760 mmHg
Melting Point27-32 °C
Flash Point147°(296°F)
TSCAYes
Vapor Pressure15 mmHg ( 160 °C)
Solubility0.15 G/L (20 º C)
Refractive index1.4169
Appearance 白色结晶，具有难闻的气味。 不溶于水，溶于大部分有机溶剂和稀硝酸。

别名和识别编码

Chemical NameDecanoic acid
CAS Number334-48-5
Synonym Decanoic acid {LY} Decanoic acid {} {LY} Decanoic acid {} {} {LY} Decanoic acid {} {} {} {LY} Decanoic acid {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Decanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number206-376-4
Beilstein Registry Number1754556
MDL NumberMFCD00004441
Reaxys-RN1754556
PubChem Substance ID2969
Merck Number1758
Chemical Name Translation正癸酸
Wiswesser Line NotationQV9
LabNetwork Molecule IDLN00193578
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
Canonical SMILESCCCCCCCCCC(O)=O
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分类

  • {SNA} A - D, A-D, Alphabetical Listings, C-D, Certified Food Grade Products, F&F Ingredients in Drum Quantities (25-200 kg), Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} Biochemicals and Reagents, Cell Biology, Elettaria Cardamomum (Cardamom), Fatty Acids and conjugates, Fatty Acyls, Lipids, Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb), Straight Chain Fatty Acids, Vaccinium macrocarpon (Cranberry), Zingiber officinale (Ginger)
  • {SNA} Biochemicals and Reagents, Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids,
  • {SNA} Biochemicals and Reagen

产品应用

  • 用于制取癸酸酯类产品，其酯类用作香料、湿润剂、增塑剂和食品添加剂等。

相关文献及参考

  • Oro, L., et al.: Acta Pharmacol. Toxicol., 18, 141 (1961),
  • Merck: 14,1758 Beilstein:2(4)1041
  • Short: III/38A
  • Merck: 14,1758
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • 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
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
RTECSHD9100000
Precautionary statements
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
Signal word
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 Wear suitable protective clothing 穿戴适当的防护服；
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   37,251,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 129 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            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 14500 ppb
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

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 r

其他信息

  • 蒸气压:15 mm Hg ( 160 °C)
  • Hazard Note:Irritant
  • FEMA:2364
  • 具有难闻的气味。实际上不溶于水，水中溶解度：0.15 g/l 水(20° C)），溶于醇、醚、苯、氯仿和二硫化碳，也溶于稀硝酸。
  • 正癸酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30048028 癸酸;羊蜡酸 500ml 34元 2011/08/23 40011860 癸酸;羊蜡酸 5g 42元 2011/04/16 D0017 癸酸 Decanoic Acid 25G 172元
  • 方法二:用椰子油、月桂油、山苍子油经水解生成月桂酸，同时副产癸酸，其收率为月桂酸的30%。请参见“月桂酸”。
  • 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） 癸酸 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
  • Sigma Aldrich:334-48-5(sigmaaldrich)
  • 防护措施:本品无毒。
  • 使用限量:FEMA(mg/kg)：软饮料9.9，冷饮3.1。糖果4.5，焙烤食品7.8，布丁类0.10～3.0，起酥油
  • Acros Organics:十烷酸 Decanoic acid, 96%(334-48-5)
  • MSDS 信息:Capric acid(334-48-5).msds
  • TCI Shanghai:癸酸 Decanoic Acid,>;98.0%(GC)(T)(334-48-5)
  • 海关编码:29159080
  • 用途三:主要用于制取癸酸酯类产品，其酯类用作香料、湿润剂、增塑剂和食品添加剂等。
  • 下游产品:四癸基溴化铵 --> 癸醛 --> 米索前列醇 --> 1-氨基癸烷 --> 邻硝基苯乙酮 --> 癸二酸二辛酯 --> 甲基壬基甲酮 --> 癸二酸二异辛酯 --> 甘油基聚环氧乙烷 --> 癸酸乙酯 --> 胶姆糖软化剂 --> 辛癸酸甘油酯 --> 丁位癸内酯
  • 常规方法:用铝桶包装，每桶100kg。按一般化学品规定贮运。
  • 参考质量标准:FCC，1996；FAO/WHO，1997 酸值(OT-4-1) 320~329 皂化值(OT-40-2，试样2g) 320~331 脂肪酸冻点(凝固点) 27~32℃ 重金属以Pb计，GT-16-2，试样2g) ≤10mg/kg 碘值(OT-27-2) ≤0.6 灼烧残渣(GT-27，试样10g) ≤0.1% 不导化物(OT-46) ≤0.2% 水分(GT-32-1) ≤0.2%
  • 用途四:用于制取癸酸酯类产品，其酯类用作香料、湿润剂、增塑剂和食品添加剂等。
  • 用途一:用于香精、香料及药物合成
  • 用途二:消泡剂；GB 2760-96规定为允许使用的重型∑堡垄香料主要用于乳品、朗姆酒、白兰赶葙舔子等型香精。
  • 上游原料:月桂酸 --> 椰子油 --> 山苍子油 --> 月桂油 --> (C8-18、C18-不饱和)脂肪酸
  • MOL 文件:334-48-5.mol
  • 图谱信息:正癸酸(334-48-5)红外图谱(IR3) 正癸酸(334-48-5)红外图谱(IR2) 正癸酸(334-48-5)核磁图( 13 CNMR) 正癸酸(334-48-5)红外图谱(IR1) 正癸酸(334-48-5)质谱(MS)
  • Alfa Aesar:癸酸,99% Decanoic acid, 99%(334-48-5)
  • 方法一:由椰子油脂肪酸分馏而得。
  • 毒性:天然脂肪酸，无毒。 可安全用于食品(FDA，§172.860.2000)

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. C-D - Alphabetical Listings
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Elettaria Cardamomum (Cardamom) - Phytochemicals by Plant (Food/Spice/Herb)
  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. C10 - Carboxylic Acids
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Fatty Acyls - Lipids
  5. Fatty Acids and conjugates - Fatty Acyls
  6. Straight Chain Fatty Acids - Fatty Acids and conjugates
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. D - Alphabetic
  5. DA - DH - D
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. FA/FAME/Lipids/Steroids - Food & Beverage Standards
  6. Free Fatty Acids - FA/FAME/Lipids/Steroids
  7. Neats - Free Fatty 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
  6. C1 to C5
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Lipids
  4. Other Lipid Related Products
  5. Lipid Analytical Standards
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Lipids
  4. Fatty Acids
  5. Saturated fatty acids and derivatives
  6. Hydroxy fatty acids