Juncusol

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  • Identifiers

    CAS number
    62023-90-9

    Molecular formula
    C18H18O2

    SMILES
    CC1=C(C=CC2=C1CCC3=CC(=C(C(=C32)C=C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 57.85%
    Spicy 44.7%
    Woody 38.38%
    Smoky 34.3%
    Burnt 30.53%
    Medicinal 30.22%
    Dry 30.07%
    Sweet 30.06%
    Leathery 27.59%
    Animal 27.12%

     

    Flavor
    Bitter 84.01%
    Very strong 21.61%
    Indole 21.22%
    Nitrile 20.57%
    Cedarleaf 20.47%
    Flat 20.39%
    Parsley 20.08%
    Lovage 19.84%
    Sweet-like 19.67%
    Odorless 19.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    9.85 (weak base)

    Molecular weight
    266.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    692°C

    Flash point

    • 227.59 ˚C est.

  • Synonyms

    • Juncusol
    • 62023-90-9
    • NSC-220968
    • 6T481HU7OI
    • DTXSID70211080
    • 2,7-Phenanthrenediol, 5-ethenyl-9,10-dihydro-1,6-dimethyl-
    • RefChem:924007
    • DTXCID70133571
    • 1,6-dimethyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol
    • 5-ethenyl-1,6-dimethyl-9,10-dihydrophenanthrene-2,7-diol
    • NSC220968
    • CHEMBL38650
    • 2,7-dihydroxy-1,6-dimethyl-5-vinyl-9,10-dihydrophenanthrene
    • NSC 220968
    • UNII-6T481HU7OI
    • orb1684491
    • SCHEMBL10477036
    • HY-N5126
    • MCA02390
    • BDBM50537502
    • MFCD31557648
    • AKOS040760494
    • FS-7129
    • DA-74693
    • NCI60_001834
    • CS-0032470
    • 2, 5-ethenyl-9,10-dihydro-1,6-dimethyl-
    • Q18386250
    • 1,6-Dimethyl-5-vinyl-9,10-dihydro-phenanthrene-2,7-diol
    • 5-ETHENYL-9,10-DIHYDRO-1,6-DIMETHYL-2,7-PHENANTHRENEDIOL
    • 62023-90-9

  • Applications

    Juncusol (CAS 62023-90-9) is a natural product that is investigated as a specialty chemical with several potential industrial applications. It may be used as an intermediate in organic synthesis, providing a scaffold for subsequent functionalization. In perfumery and cosmetics, it is explored as a fragrance component or additive in personal-care formulations. It is also evaluated for antioxidant or antimicrobial activities in research contexts, supporting potential exploration in pharmaceuticals or functional consumer products. Additionally, it can serve as a reference material or starting point in natural-product chemistry studies and in collaboration projects focused on plant-derived compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.14
    methanol 23.67
    isopropanol 16.91
    water 0.02
    ethyl acetate 27.96
    n-propanol 24.06
    acetone 23.37
    n-butanol 20.92
    acetonitrile 3.88
    DMF 85.47
    toluene 17.96
    isobutanol 14.08
    1,4-dioxane 98.05
    methyl acetate 19.5
    THF 143.43
    2-butanone 29.7
    n-pentanol 12.97
    sec-butanol 11.0
    n-hexane 1.24
    ethylene glycol 2.82
    NMP 27.94
    cyclohexane 1.42
    DMSO 41.19
    n-butyl acetate 44.58
    n-octanol 10.4
    chloroform 60.37
    n-propyl acetate 23.58
    acetic acid 10.47
    dichloromethane 45.49
    cyclohexanone 42.43
    propylene glycol 3.46
    isopropyl acetate 29.77
    DMAc 71.31
    2-ethoxyethanol 37.78
    isopentanol 20.89
    n-heptane 1.58
    ethyl formate 10.38
    1,2-dichloroethane 47.57
    n-hexanol 27.4
    2-methoxyethanol 61.22
    isobutyl acetate 24.31
    tetrachloromethane 8.65
    n-pentyl acetate 40.19
    transcutol 99.16
    n-heptanol 21.06
    ethylbenzene 15.4
    MIBK 32.41
    2-propoxyethanol 73.02
    tert-butanol 36.41
    MTBE 47.29
    2-butoxyethanol 49.19
    propionic acid 9.35
    o-xylene 13.63
    formic acid 4.44
    diethyl ether 46.58
    m-xylene 15.91
    p-xylene 16.42
    chlorobenzene 15.6
    dimethyl carbonate 22.49
    n-octane 1.36
    formamide 13.14
    cyclopentanone 52.79
    2-pentanone 31.19
    anisole 36.09
    cyclopentyl methyl ether 38.22
    gamma-butyrolactone 45.21
    1-methoxy-2-propanol 52.91
    pyridine 43.71
    3-pentanone 26.11
    furfural 39.62
    n-dodecane 1.03
    diethylene glycol 41.6
    diisopropyl ether 14.06
    tert-amyl alcohol 22.45
    acetylacetone 40.04
    n-hexadecane 1.24
    acetophenone 27.44
    methyl propionate 25.78
    isopentyl acetate 50.51
    trichloroethylene 75.95
    n-nonanol 12.81
    cyclohexanol 12.54
    benzyl alcohol 19.55
    2-ethylhexanol 17.47
    isooctanol 19.41
    dipropyl ether 30.8
    1,2-dichlorobenzene 18.91
    ethyl lactate 13.23
    propylene carbonate 21.86
    n-methylformamide 21.96
    2-pentanol 12.51
    n-pentane 0.99
    1-propoxy-2-propanol 46.49
    1-methoxy-2-propyl acetate 56.06
    2-(2-methoxypropoxy) propanol 37.29
    mesitylene 11.2
    ε-caprolactone 34.02
    p-cymene 12.79
    epichlorohydrin 80.65
    1,1,1-trichloroethane 29.61
    2-aminoethanol 8.83
    morpholine-4-carbaldehyde 63.17
    sulfolane 50.71
    2,2,4-trimethylpentane 1.38
    2-methyltetrahydrofuran 42.62
    n-hexyl acetate 33.04
    isooctane 1.6
    2-(2-butoxyethoxy)ethanol 52.98
    sec-butyl acetate 24.46
    tert-butyl acetate 48.85
    decalin 2.09
    glycerin 9.78
    diglyme 106.63
    acrylic acid 7.74
    isopropyl myristate 16.64
    n-butyric acid 21.33
    acetyl acetate 17.07
    di(2-ethylhexyl) phthalate 17.85
    ethyl propionate 24.26
    nitromethane 21.7
    1,2-diethoxyethane 60.16
    benzonitrile 13.94
    trioctyl phosphate 13.24
    1-bromopropane 20.21
    gamma-valerolactone 75.05
    n-decanol 10.01
    triethyl phosphate 19.86
    4-methyl-2-pentanol 13.67
    propionitrile 10.7
    vinylene carbonate 22.3
    1,1,2-trichlorotrifluoroethane 43.96
    DMS 32.65
    cumene 12.21
    2-octanol 13.44
    2-hexanone 25.79
    octyl acetate 18.78
    limonene 13.27
    1,2-dimethoxyethane 95.06
    ethyl orthosilicate 23.13
    tributyl phosphate 14.14
    diacetone alcohol 44.94
    N,N-dimethylaniline 28.73
    acrylonitrile 13.09
    aniline 18.44
    1,3-propanediol 20.98
    bromobenzene 16.98
    dibromomethane 27.1
    1,1,2,2-tetrachloroethane 65.28
    2-methyl-cyclohexyl acetate 28.9
    tetrabutyl urea 21.34
    diisobutyl methanol 15.89
    2-phenylethanol 34.89
    styrene 13.7
    dioctyl adipate 20.91
    dimethyl sulfate 32.4
    ethyl butyrate 29.49
    methyl lactate 15.04
    butyl lactate 23.86
    diethyl carbonate 20.24
    propanediol butyl ether 22.58
    triethyl orthoformate 29.64
    p-tert-butyltoluene 13.42
    methyl 4-tert-butylbenzoate 38.37
    morpholine 91.77
    tert-butylamine 18.38
    n-dodecanol 7.67
    dimethoxymethane 120.26
    ethylene carbonate 20.24
    cyrene 30.48
    2-ethoxyethyl acetate 59.1
    2-ethylhexyl acetate 38.63
    1,2,4-trichlorobenzene 21.62
    4-methylpyridine 30.38
    dibutyl ether 19.99
    2,6-dimethyl-4-heptanol 15.89
    DEF 37.61
    dimethyl isosorbide 66.48
    tetrachloroethylene 46.02
    eugenol 42.71
    triacetin 27.13
    span 80 25.97
    1,4-butanediol 5.93
    1,1-dichloroethane 23.68
    2-methyl-1-pentanol 15.44
    methyl formate 15.21
    2-methyl-1-butanol 15.27
    n-decane 1.85
    butyronitrile 10.15
    3,7-dimethyl-1-octanol 12.76
    1-chlorooctane 8.13
    1-chlorotetradecane 3.72
    n-nonane 1.45
    undecane 1.35
    tert-butylcyclohexane 2.65
    cyclooctane 0.89
    cyclopentanol 10.58
    tetrahydropyran 61.53
    tert-amyl methyl ether 29.21
    2,5,8-trioxanonane 70.38
    1-hexene 7.39
    2-isopropoxyethanol 29.62
    2,2,2-trifluoroethanol 5.95
    methyl butyrate 26.69

    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