Isopulegol 5-甲基-2-(丙-1-烯-2-基)环己醇

CAS 7786-67-6 MFCD00134655

化学结构图

7786-67-6
SMILES: C=C(C)C1CCC(C)CC1O

化学属性

Mol. FormulaC10H18O
Mol. Weight154.25
Refractive index1.4710 to 1.4730
Boiling Point90-92 °C at 12 mmHg
Density0.912 g/mL at 25 °C(lit.)
Flash Point78°C(lit.)
TSCAYes

别名和识别编码

Chemical Name5-Methyl-2-(Prop-1-En-2-Yl)Cyclohexan-1-Ol
Synonym Isopulegol {LY} Isopulegol {} {LY} Isopulegol {} {} {LY} Isopulegol {} {} {} {LY} Isopulegol {} {} {} {} {LY} Isopulegol {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopulegol {} {} {} {} {}
CAS Number7786-67-6
PubChem Substance ID24585
EC Number201-940-6
Beilstein Registry Number6,65
MDL NumberMFCD00001479
Chemical Name Translation5-甲基-2-(丙-1-烯-2-基)环己醇
Reaxys-RN4128962
Wiswesser Line NotationL6TJ AY1&U1 BQ D1
InChIKeyZYTMANIQRDEHIO-UHFFFAOYSA-N
LabNetwork Molecule IDLN01745997
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3
Canonical SMILESC=C(C)C1CCC(C)CC1O
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分类

  • {SNA} Alcohols, Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Organic Building Blocks
  • Alcohols, Aliphatic, Alphabetic, Alphabetical, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, I, I - M, Isoprenoids, Life Sciences Standards, Mentha, Natural Compounds, Natural Terpene Standards, Phytopharma Standards, Standards by Plant Genus, Substance Classification
  • {SNA} A-L, Additional Standards, Alcohols, Aliphatic, Alpha

相关文献及参考

  • 1. K.H. Schulte-Elte, G. Ohloff Helv. Chim. Acta 50 , 153, (1967) 摘要
  • 2. G. Schmid, W. Hofheinz J. Am. Chem. Soc. 105 , 624, (1983)
  • 3. Y. Imakura et al. J. Chem. Soc., Chem. Commun. , 372, (1988)
  • 4. C.W. Jefford et al. Org. Synth. 71 , 207, (1993)
  • Beil. 6 ,III,257
  • Arctander , 2768 / FT-IR 1 (1), 165:B / FT-IR 2 (1), 243:C / FT-NMR 1 (1), 260:A / Fenaroli , 422 / Structure Index 1 , 22:A:5
  • 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: 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

GHS Symbol
WGK Germany2
Hazard Codes Xn
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H302 Harmful if swallowed 吞食有害
  • 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P203
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • 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。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+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。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P318
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P370+P378
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
RTECSOT0190000
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
  • R22 Harmful if swallowed 吞咽有害
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；
  • S36/37/39 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3 mL/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: 13,823,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1030 uL/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: 13,823,1975

Storage condition

其他信息

  • MOL 文件:89-79-2.mol
  • FEMA:2962
  • Sigma Aldrich:89-79-2(sigmaaldrich)
  • F:10-23

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Halal Certified Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. I-L - Alphabetical Listings
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. I - Alphabetic
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Alcohols - Organic Building Blocks
  1. Chemical Synthesis 化学合成
  2. Asymmetric Synthesis 不对称合成
  3. Chiral Building Blocks 手性分子砌块
  4. Organic Building Blocks - Chiral Building Blocks
  5. Alcohols - Organic Building Blocks
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Phytopharma Standards - Life Sciences Standards
  6. Alphabetical - Phytopharma Standards
  7. I - M - Alphabetical

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