Ginsenoyne B

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  • Identifiers

    CAS number
    139035-29-3

    Molecular formula
    C17H23ClO2

    SMILES
    C=CCCCCCC(C(CC#CC#CC(C=C)O)O)Cl

    Safety labels

  • Odor profile

    Fragrance
    Sweet 37.08%
    Citrus 30.47%
    Fresh 28.58%
    Spicy 27.9%
    Floral 27.86%
    Metallic 26.04%
    Waxy 24.24%
    Woody 23.16%
    Oily 21.96%
    Grapefruit 21.65%

     

    Flavor
    Bitter 68.45%
    Odorless 30.47%
    Bland 26.86%
    Nitrile 20.51%
    Cedarleaf 18.98%
    Oriental 18.85%
    Sweet-like 18.59%
    Bloody 17.66%
    Mild 17.62%
    Glue 17.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    5.28 (weak acid)

    Molecular weight
    294.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    341°C

    Flash point

    • 186.09 ˚C est.

  • Synonyms

    • Ginsenoyne B
    • 10-chloroheptadeca-1,16-dien-4,6-diyne-3,9-diol
    • RefChem:1085796
    • 139035-29-3
    • C17H23ClO2
    • SCHEMBL30433448
    • CHEBI:193361
    • DTXSID301230552
    • 10-Chloroheptadeca-1,16-diene-4,6-diyne-3,9-diol
    • 1,16-Heptadecadiene-4,6-diyne-3,9-diol, 10-chloro-
    • 139035-29-3

  • Applications

    Ginsenoyne B (CAS 139035-29-3) is a natural product that may be used in perfumery as a fragrance component, in cosmetics and personal care as a fragrance ingredient or functional phytochemical, in pharmaceutical research as a natural-product lead candidate for activity screening, and in industrial manufacturing as an organic synthesis intermediate or building block; it is also studied in agriculture-related research as a plant-derived phytochemical. Uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 377.18
    methanol 619.51
    isopropanol 172.11
    water 0.07
    ethyl acetate 298.32
    n-propanol 195.06
    acetone 442.27
    n-butanol 172.68
    acetonitrile 66.6
    DMF 312.79
    toluene 30.8
    isobutanol 105.1
    1,4-dioxane 282.49
    methyl acetate 161.59
    THF 841.67
    2-butanone 260.12
    n-pentanol 141.8
    sec-butanol 131.96
    n-hexane 1.47
    ethylene glycol 48.93
    NMP 170.54
    cyclohexane 4.9
    DMSO 860.38
    n-butyl acetate 157.22
    n-octanol 48.37
    chloroform 115.3
    n-propyl acetate 175.43
    acetic acid 233.41
    dichloromethane 134.47
    cyclohexanone 313.72
    propylene glycol 124.08
    isopropyl acetate 166.7
    DMAc 381.09
    2-ethoxyethanol 417.62
    isopentanol 148.8
    n-heptane 3.16
    ethyl formate 114.55
    1,2-dichloroethane 129.4
    n-hexanol 105.65
    2-methoxyethanol 646.32
    isobutyl acetate 103.48
    tetrachloromethane 14.35
    n-pentyl acetate 106.33
    transcutol 1314.86
    n-heptanol 55.04
    ethylbenzene 19.53
    MIBK 158.17
    2-propoxyethanol 276.27
    tert-butanol 191.65
    MTBE 125.13
    2-butoxyethanol 161.02
    propionic acid 114.47
    o-xylene 22.98
    formic acid 98.69
    diethyl ether 106.15
    m-xylene 29.73
    p-xylene 22.37
    chlorobenzene 41.54
    dimethyl carbonate 62.78
    n-octane 1.83
    formamide 181.16
    cyclopentanone 355.57
    2-pentanone 281.77
    anisole 80.65
    cyclopentyl methyl ether 180.39
    gamma-butyrolactone 298.57
    1-methoxy-2-propanol 463.85
    pyridine 129.99
    3-pentanone 113.46
    furfural 239.72
    n-dodecane 1.99
    diethylene glycol 242.98
    diisopropyl ether 29.02
    tert-amyl alcohol 137.52
    acetylacetone 349.66
    n-hexadecane 2.27
    acetophenone 106.06
    methyl propionate 170.08
    isopentyl acetate 137.55
    trichloroethylene 247.29
    n-nonanol 45.15
    cyclohexanol 131.46
    benzyl alcohol 94.97
    2-ethylhexanol 60.05
    isooctanol 49.76
    dipropyl ether 65.56
    1,2-dichlorobenzene 44.3
    ethyl lactate 91.35
    propylene carbonate 159.42
    n-methylformamide 157.63
    2-pentanol 96.23
    n-pentane 1.39
    1-propoxy-2-propanol 219.75
    1-methoxy-2-propyl acetate 213.77
    2-(2-methoxypropoxy) propanol 166.37
    mesitylene 20.15
    ε-caprolactone 251.37
    p-cymene 18.97
    epichlorohydrin 395.64
    1,1,1-trichloroethane 76.26
    2-aminoethanol 141.74
    morpholine-4-carbaldehyde 290.03
    sulfolane 365.29
    2,2,4-trimethylpentane 3.19
    2-methyltetrahydrofuran 316.01
    n-hexyl acetate 112.38
    isooctane 3.02
    2-(2-butoxyethoxy)ethanol 268.28
    sec-butyl acetate 108.24
    tert-butyl acetate 197.33
    decalin 4.05
    glycerin 167.18
    diglyme 530.55
    acrylic acid 83.65
    isopropyl myristate 43.49
    n-butyric acid 233.62
    acetyl acetate 139.49
    di(2-ethylhexyl) phthalate 48.89
    ethyl propionate 108.22
    nitromethane 348.43
    1,2-diethoxyethane 266.57
    benzonitrile 71.08
    trioctyl phosphate 35.39
    1-bromopropane 42.42
    gamma-valerolactone 504.52
    n-decanol 32.56
    triethyl phosphate 49.56
    4-methyl-2-pentanol 62.91
    propionitrile 50.81
    vinylene carbonate 116.16
    1,1,2-trichlorotrifluoroethane 283.58
    DMS 86.93
    cumene 17.21
    2-octanol 35.17
    2-hexanone 161.79
    octyl acetate 53.25
    limonene 32.26
    1,2-dimethoxyethane 449.4
    ethyl orthosilicate 51.43
    tributyl phosphate 45.83
    diacetone alcohol 291.21
    N,N-dimethylaniline 54.17
    acrylonitrile 65.63
    aniline 67.16
    1,3-propanediol 249.2
    bromobenzene 36.88
    dibromomethane 72.23
    1,1,2,2-tetrachloroethane 189.7
    2-methyl-cyclohexyl acetate 87.28
    tetrabutyl urea 65.07
    diisobutyl methanol 41.45
    2-phenylethanol 85.41
    styrene 23.84
    dioctyl adipate 80.48
    dimethyl sulfate 108.86
    ethyl butyrate 113.77
    methyl lactate 119.19
    butyl lactate 114.8
    diethyl carbonate 63.14
    propanediol butyl ether 191.96
    triethyl orthoformate 84.7
    p-tert-butyltoluene 20.11
    methyl 4-tert-butylbenzoate 100.52
    morpholine 423.01
    tert-butylamine 65.01
    n-dodecanol 24.56
    dimethoxymethane 353.72
    ethylene carbonate 109.25
    cyrene 152.51
    2-ethoxyethyl acetate 203.19
    2-ethylhexyl acetate 96.11
    1,2,4-trichlorobenzene 59.52
    4-methylpyridine 119.09
    dibutyl ether 64.78
    2,6-dimethyl-4-heptanol 41.45
    DEF 197.78
    dimethyl isosorbide 259.23
    tetrachloroethylene 115.78
    eugenol 109.6
    triacetin 152.71
    span 80 137.32
    1,4-butanediol 93.98
    1,1-dichloroethane 86.33
    2-methyl-1-pentanol 113.17
    methyl formate 115.5
    2-methyl-1-butanol 114.78
    n-decane 3.25
    butyronitrile 81.77
    3,7-dimethyl-1-octanol 56.64
    1-chlorooctane 20.64
    1-chlorotetradecane 8.27
    n-nonane 2.66
    undecane 2.44
    tert-butylcyclohexane 4.32
    cyclooctane 1.88
    cyclopentanol 124.59
    tetrahydropyran 281.39
    tert-amyl methyl ether 87.96
    2,5,8-trioxanonane 330.1
    1-hexene 12.57
    2-isopropoxyethanol 226.12
    2,2,2-trifluoroethanol 52.08
    methyl butyrate 170.7

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction