Citronellic acid 3,7-二甲基-6-辛烯酸

CAS 502-47-6 MFCD00002728

化学结构图

502-47-6
SMILES: CC(C)=CCCC(C)CC(=O)O

化学属性

Mol. FormulaC10H18O2
Mol. Weight170.25
Refractive index1.4520 to 1.4550
Boiling Point121-122 °C at 1 mmHg
Density0.923 g/mL at 25 °C(lit.)
Flash Point>110°(230°F)
TSCAYes

别名和识别编码

Chemical NameCitronellic acid
Synonym 3,7-Dimethyloct-6-enoic acid {LY} 3,7-Dimethyloct-6-enoic acid {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloct-6-enoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number502-47-6
PubChem Substance ID10402
EC Number207-939-7
MDL NumberMFCD00002728
Reaxys-RN1422774
Beilstein Registry Number4(2)1610
Chemical Name Translation3,7-二甲基-6-辛烯酸
Wiswesser Line NotationQV1Y1&3UY1&1
LabNetwork Molecule IDLN00238233
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
Canonical SMILESC/C(C)=C/CCC(C)CC(O)=O
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分类

  • {SNA} A-D, Alphabetical Listings, C-D, Certified Food Grade Products, Certified
  • {SA} Building Blocks, C10, Carbonyl Compounds
  • {SNA} Building Blocks, C10, Carbonyl Compounds, Carboxylic Acids, Cell Biology, Chemical Synthesis, Citrus aurantium (Sev

相关文献及参考

  • Beil. 2 ,455
  • Corp MSDS 1 (1), 894:B / FT-IR 2 (1), 781:B / FT-NMR 1 (1), 780:C / RegBook 1 (1), 549:D / Structure Index 1 , 77:C:9 / Vapor Phase 3 , 587:A
  • 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
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xn
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRH3230000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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+P312+P361+P364
  • 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。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P361+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger {} {} {} {} {} {TCI}
UN Number UN2810 2810 UN 2810 6.1/PG 3
Risk Statements
  • R38 Irritating to skin 刺激皮肤
  • R21 Harmful in contact with skin 与皮肤接触有害
  • 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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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；
Packing GroupIII
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 450 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,653,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2610 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,653,1982

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

  • Alfa Aesar:3,7-二甲基-6-辛烯酸,94% Citronellic acid, 94%(502-47-6)
  • Sigma Aldrich:502-47-6(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） 3，7-二甲基-6-辛烯酸 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
  • MOL 文件:502-47-6.mol
  • TCI Shanghai:3,7-二甲基-6-辛烯酸 Citronellic Acid,>;95.0%(T)(502-47-6)
  • 下游产品:6-羟基-3,7-二甲基辛酸内酯
  • 3,7-二甲基-6-辛酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1708 香茅酸 Citronellic Acid 25ML 785元 2010/06/21 297741000 3,7-二甲基-6-辛酸 (delta)-Citronellic acid 95% 100 ML 2570元 2010/05/25 B22862 3,7-二甲基-6-辛烯酸, 94% Citronellic acid, 94% 25g 617元
  • Acros Organics:3,7-二甲基-6-辛酸 ('±)-Citronellic acid, 95%(502-47-6)
  • 上游原料:甲醇 --> 乙醚 --> N,N-二甲基甲酰胺 --> 丙酮 --> 吡啶 --> 三氧化铬 --> 香茅醇
  • FEMA:3142

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. 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. Biochemistry / Glyco-Chemistry
  3. Terpenes

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