1,11-Undecanedicarboxylic acid 十三烷二酸

CAS 505-52-2 MFCD00002740

化学结构图

505-52-2
SMILES: O=C(O)CCCCCCCCCCCC(=O)O

化学属性

Mol. FormulaC13H24O4
Mol. Weight244.33
Melting Point112-114 °C
Solubility不溶
TSCAYes
Density1.422
Appearance 从乙醇或乙酸乙酯中析出的针状体。熔点114℃，相对密度1.12。在100g溶剂中溶解度分别为（g）：水（24℃）0.004，甲醇（20℃）13，甲苯（40℃）1.3。
Boiling Point415.5 °C at 760 mmHg

别名和识别编码

Chemical Name1,11-Undecanedicarboxylic acid
Synonym Tridecanedioic acid {LY} Tridecanedioic acid {} {LY} Tridecanedioic acid {} {} {LY} Tridecanedioic acid {} {} {} {LY} Tridecanedioic acid {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tridecanedioic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tridecanedioic acid
MDL NumberMFCD00002740
CAS Number505-52-2
PubChem Substance ID10458
EC Number208-011-4
Reaxys-RN1786404
Beilstein Registry Number1786404
Chemical Name Translation十三烷二酸
LabNetwork Molecule IDLN00197713
InChIInChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
Canonical SMILESO=C(O)CCCCCCCCCCCC(O)=O
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分类

  • {SA} Building Blocks, C13 to C42+, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C13 to C42+, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carboxylic acid; 1fragment

相关文献及参考

  • Short: III/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • 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+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • 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
  • 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
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
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
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
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 图谱信息:十三烷二酸(505-52-2)红外图谱(IR1) 十三烷二酸(505-52-2)核磁图( 1 HNMR) 十三烷二酸(505-52-2)质谱(MS) 十三烷二酸(505-52-2)红外图谱(IR2)
  • 用途二:香料方面：用于合成十三烷二酸乙撑酯。塑料方面：（1）可作为生产透明性、耐热性和机械性能良好的共聚聚酰胺的一种组分；（2）可作耐热性、成型加工性良好的聚醚酰胺树脂的原料；（3）作为调节图象记录、感热板的原料；（4）作为感光性聚酰胺树脂的原料；表面活性剂及润滑油方面：（1）可作为纤维柔软剂原料；（2）可作为金属加工用润滑剂原料。照相、记录材料方面：（1）提高磁记录材料用的金属磁性薄膜的耐久性；（2）作为金属加工用的润滑剂；（3）同吡唑衍生物的混合水溶液是具有良好防锈作用的金属处理剂。金属化合物方面：用作液晶取向剂的多核金属络合体。抗菌剂方面：由二羧酸化合物，二羧酸单碱金属盐组成的非医疗用抗菌剂。其他方面：（1）医药、农药中间体；（2）增塑剂原料。
  • 海关编码:29171990
  • 用途三:用于合成十三烷二酸乙撑酯。
  • TCI Shanghai:十三烷二酸 Tridecanedioic Acid,>;95.0%(GC)(T)(505-52-2)
  • 用途一:用于生产高级香精、香料及人造麝香-T，热熔胶和工程塑料，高级食品包装材料，也是高档尼龙1313的主要原料
  • 十三烷二酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0021 十三烷二酸 Tridecanedioic Acid 25G 1850元 2014/06/02 T0021 十三烷二酸 Tridecanedioic Acid 10G 1270元 2010/06/21 369440250 十三烷二酸 1,11-Undecanedicarboxylic acid 94% 25 GR 2622元
  • Sigma Aldrich:505-52-2(sigmaaldrich)
  • Acros Organics:1,11-十三碳(烷)二酸 1,11-Undecanedicarboxylic acid, 94%(505-52-2)
  • 方法一:美国埃迈里公司曾用特种菜籽油提取芥酸，用臭氧氧化再分解而得。日本矿业公司用自产的直链烷烃作原料以发酵法生产。此外，原料除用直链烷烃外，也还可以由直链烯烃，饱和或不饱和脂肪酸，十六（烷）酸酯等合成。
  • MSDS 信息:Brassylic acid(505-52-2).msds
  • MOL 文件:505-52-2.mol
  • 上游原料:棕榈酸 --> 臭氧 --> 菜籽油 --> 芥酸 --> 不饱和脂肪酸
  • 下游产品:十三烷二酸环乙撑酯

系列性分类

  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. C13 to C42+ - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. P - Alphabetic
  5. PU - PZ - P
  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. Aromatic acids
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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