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Cycloheptanone

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Origin: China

Cas No: 502-42-1

Specification: 99%min

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  • Products Specification
  • Product Description

  • Property

    CAS No.: 502-42-1 Formula: C7H12O Molecular Weight: 112.17000

    Description

    Cycloheptanone, (CH2)6CO, is a cyclic ketone also referred to as suberone. It is a colourless volatile liquid. Cycloheptanone is used as a precursor for the synthesis of pharmaceuticals.

    Basic Info

    Chemical Name Cycloheptanone
    Synonyms

    1-cycloheptanone;
    Suberon;
    cycloheptan-1-one;
    cycloheptanon;
    cyclo-heptanone;
    Ketoheptamethylene;
    Suberone;
    Ketocycloheptane;
    octanolactone;
    2-cycloheptane-1-one;
    cycloheptyloxy;

    CAS No. 502-42-1
    Molecular Formula C7H12O
    Molecular Weight 112.17000
    PSA 17.07000
    LogP 1.90970

    Properties

    Appearance & Physical State clear colorless to yellow liquid
    Density 0.95
    Boiling Point 179ºC
    Melting Point -21ºC
    Flash Point 57ºC
    Refractive Index 1.46-1.462
    Water Solubility INSOLUBLE
    Storage Condition Flammables area

    Safety Info

    RTECS GU3325000
    Hazard Class 3
    Safety Statements S23-S24/25
    HS Code 2914299000
    WGK Germany 3
    Packing Group III
    RIDADR UN 1224
    Risk Statements R10
    Hazard Codes Xi

    Synthesis Route

    carbon dioxide+α-bromocycloheptanone→Methyl 2-Oxo-1-cycloheptanecarboxylate+Cycloheptanone
    2-[1-[[2-(5-Methoxy-1H-indol-3-yl)ethyl]amino]ethylidene]cycloheptanone→6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole+Cycloheptanone
    Cycloheptanol+acetophenone→1-phenylethanol+Cycloheptanone

    GC Analysis

    Column type Active phase Temperature (°C) Retention Index (I) Temperature Control Method
    Packed Apiezon L 130. 1009. isothermal
    Capillary RTX-5 - 1005.1 temperature ramp
    Capillary RTX-5 - 1015.5 temperature ramp
    Capillary Polydimethyl siloxane 105. 992. isothermal
    Capillary Polydimethyl siloxane 75. 979. isothermal

    Toxicity

    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Intraperitoneal LDLo - Lowest published lethal dose Rodent - mouse 750 mg/kg 1.Behavioral-excitement
    2.Behavioral-coma
    3.Cardiac-arrhythmias (including changes in conduction)
    Subcutaneous LDLo - Lowest published lethal dose Rodent - mouse 930 mg/kg 1.Autonomic Nervous System-other (direct) parasympathomimetic
    2.Behavioral-coma
    3.Lungs, Thorax, or Respiration-respiratory depression

    Precursor

    N-cycloheptylidenehydroxylamine
    Cycloheptanol
    2-Cycloheptenone
    cyclohept-4-en-1-one

    Downstream Product

    4,4-dimethyl-1,4a,5,6,7,8,9,9a-octahydrocyclohepta[c]pyran-3-one
    7-iodo-1-phenylheptan-1-one
    2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxylic acid
    3-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-3-ium,perchlorate

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