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(1E,4E,8E)-α-humulene

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Origin: China

CasNo: 6753-98-6

specification: 99%min

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  • Products Specification
  • Description
  • Property

    CAS No.: 6753-98-6 Formula: C15H24 Molecular Weight: 204.35100

    Description

    Humulene, also known as α-humulene or α-caryophyllene, is a naturally occurring monocyclic sesquiterpene (C15H24), containing an 11-membered ring and consisting of 3 isoprene units containing three nonconjugated C═C double bonds, two of them being triply substituted and one being doubly substituted. It was first found in the essential oils of Humulus lupulus (hops), from which it derives its name. Humulene is an isomer of β-caryophyllene, and the two are often found together as a mixture in many aromatic plants.

    Basic Info

    Chemical Name (1E,4E,8E)-α-humulene
    Synonyms

    (1E,4E,8E)-alpha-humulene;
    α-CARYOPHYLLENE;
    1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)-;

    CAS No. 6753-98-6
    Molecular Formula C15H24
    Molecular Weight 204.35100
    PSA 0.00000
    LogP 5.03540

    Properties

    Density 0.819g/cm3
    Boiling Point 276.3ºC at 760mmHg
    Flash Point 110.2ºC
    Refractive Index n20/D 1.503(lit.)
    Storage Condition 2-8ºC

    Safety Info

    RTECS GZ4817500
    Safety Statements S26; S36
    HS Code 2902199090
    WGK Germany 3
    Risk Statements R36/37/38
    Hazard Codes Xi
    Signal Word Warning
    Symbol GHS07
    Caution Statement P261; P305 + P351 + P338
    Hazard Declaration H315; H319; H335

    Synthesis Route

    (4E,8E)-2,2,5,9-tetramethylcycloundeca-4,8-dien-1-yl methanesulfonate(1E,4E,8E)-α-humulene
    3,3,7-trinethyl-11-oxo-4E,7E-dodecadienal(1E,4E,8E)-α-humulene
    Farnesyl pyrophosphate(1E,4E,8E)-α-humulene+(+)-germacrene A

    Precursor

    (4E,8E)-2,2,5,9-tetramethylcycloundeca-4,8-dien-1-yl methanesulfonate
    tert-butyldimethyl((3-methylbut-2-en-2-yl)oxy)silane
    3,3,7-trinethyl-11-oxo-4E,7E-dodecadienal
    (4E,8E)-2,2,5,9-tetramethylcycloundeca-4,8-dienol

    Downstream Product

    2,2-dimethylsuccinic acid

    Methyl levulinate
    pentane-1,4-diol

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