Rel-(2S,5R)-5-Methyl-2-(1-Methylethyl)-Cyclohexanone rel-(2S,5R)-2-异丙基-5-甲基环己烷-1-酮

CAS 89-80-5 MFCD00136033

化学结构图

89-80-5
SMILES: CC(C)[C@H]1CC[C@H](C)CC1=O

化学属性

Mol. FormulaC10H18O
Mol. Weight154
Refractive index1.450
Flash Point69 ºC
Boiling Point210
Density0.896
Melting Point82-83

别名和识别编码

Chemical NameRel-(2S,5R)-5-Methyl-2-(1-Methylethyl)-Cyclohexanone
Synonym (±)-trans-p-menthan-3-one (±)-menthone trans-menthone Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans- Menthone p-Menthone trans-5-Methyl-2-(1-methylethyl)cyclohexanone;\u000btrans-p-Menthan-3-one trans-Menthone trans-Menthone; 2-Isopropyl-5-methylcyclohexanone
EC Number201-941-1
CAS Number89-80-5
Chemical Name Translationrel-(2S,5R)-2-异丙基-5-甲基环己烷-1-酮
Wiswesser Line NotationL6VTJ BY1&1 E1
LabNetwork Molecule IDLN00239186
PubChem Substance ID26447
InChIInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
MDL NumberMFCD00136033
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ketone; racemate; 1fragment

相关文献及参考

  • 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/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 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

Hazard Codes Xn
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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R52/53
RTECSOS9542200 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRXXBL French Demande Patent Document.  (U.S. Patent and Trademark Office,
   Foreign Patents, Washington, DC 20231)  Volume(issue)/page/year: #2448856

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Cardiac - change in rate
   Vascular - BP lowering not characterized in autonomic section
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 236,633,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2180 mg/kg
TOXIC EFFECTS :
   Behavioral - anticonvulsant
   Behavioral - sleep
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 46,77,1957

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 6400 ng/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 138,17,1984

GHS Symbol

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