Zinniol

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  • Identifiers

    CAS number
    17811-28-8

    Molecular formula
    C15H22O4

    SMILES
    CC1=C(C=C(C(=C1OC)CO)CO)OCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.05%
    Floral 57.83%
    Vanilla 41.44%
    Spicy 41.0%
    Balsamic 39.59%
    Fruity 37.84%
    Powdery 31.56%
    Woody 30.59%
    Herbal 28.72%
    Warm 27.68%

     

    Flavor
    Bitter 39.07%
    Sweet 33.09%
    Woody 29.25%
    Spicy 27.0%
    Floral 26.6%
    Flower 25.08%
    Mild 23.84%
    Powdery 22.21%
    Spice 21.79%
    Herbal 21.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.59 (weak base)

    Molecular weight
    266.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    533°C

    Flash point

    • 170.4 ˚C est.

  • Synonyms

    • Zinniol
    • 17811-28-8
    • 3-Methoxy-4-methyl-5-(3-methyl-2-butenyloxy)-1,2-benzenedimethanol
    • [2-(hydroxymethyl)-3-methoxy-4-methyl-5-(3-methylbut-2-enoxy)phenyl]methanol
    • 2XM821R13R
    • NSC-125427
    • DTXSID10170425
    • (2-(hydroxymethyl)-3-methoxy-4-methyl-5-(3-methylbut-2-enoxy)phenyl)methanol
    • RefChem:196103
    • DTXCID4092916
    • ACon1_002206
    • AC1L3DE3
    • UNII-2XM821R13R
    • AC1Q563R
    • NSC 125427
    • orb1991257
    • SCHEMBL3117461
    • CHEMBL1973111
    • CHEBI:10117
    • Zinniol, >=90% (LC/MS-UV)
    • MFCD03273554
    • NSC125427
    • AKOS040735545
    • BS-1543
    • NCGC00179724-01
    • NCI60_000594
    • NS00134364
    • BRD-K31553865-001-01-8
    • Q27108590
    • 1,2-Benzenedimethanol, 3-methoxy-4-methyl-5-((3-methyl-2-butenyl)oxy)-
    • {3-Methoxy-4-methyl-5-[(3-methylbut-2-en-1-yl)oxy]-1,2-phenylene}dimethanol
    • 17811-28-8

  • Applications

    Zinniol (CAS 17811-28-8) is an organic compound typically viewed as a synthetic intermediate and building block in organic synthesis. In practice, it may be evaluated for use as a fragrance/odorant ingredient in perfumery, as a cosmetic and personal-care ingredient, and as a functional additive in coatings and inks; it can also serve as a building block in polymer formulations to support synthesis of complex materials or as a stabilizer/compatibilizer in certain resin systems. Its exact applications depend on regulatory status and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.25
    methanol 169.19
    isopropanol 119.39
    water 0.39
    ethyl acetate 180.05
    n-propanol 135.63
    acetone 181.38
    n-butanol 114.56
    acetonitrile 100.64
    DMF 273.88
    toluene 40.0
    isobutanol 85.26
    1,4-dioxane 341.53
    methyl acetate 155.06
    THF 404.65
    2-butanone 127.93
    n-pentanol 78.16
    sec-butanol 83.94
    n-hexane 3.74
    ethylene glycol 49.76
    NMP 157.3
    cyclohexane 11.11
    DMSO 353.31
    n-butyl acetate 86.58
    n-octanol 36.56
    chloroform 389.32
    n-propyl acetate 90.38
    acetic acid 247.77
    dichloromethane 346.8
    cyclohexanone 187.92
    propylene glycol 60.2
    isopropyl acetate 94.75
    DMAc 240.68
    2-ethoxyethanol 201.91
    isopentanol 94.53
    n-heptane 4.06
    ethyl formate 100.55
    1,2-dichloroethane 246.82
    n-hexanol 85.64
    2-methoxyethanol 340.22
    isobutyl acetate 63.88
    tetrachloromethane 48.34
    n-pentyl acetate 59.28
    transcutol 255.4
    n-heptanol 48.02
    ethylbenzene 30.82
    MIBK 76.53
    2-propoxyethanol 169.92
    tert-butanol 227.39
    MTBE 128.56
    2-butoxyethanol 103.18
    propionic acid 109.36
    o-xylene 37.08
    formic acid 75.72
    diethyl ether 119.36
    m-xylene 37.74
    p-xylene 39.15
    chlorobenzene 82.78
    dimethyl carbonate 81.5
    n-octane 3.06
    formamide 123.85
    cyclopentanone 223.88
    2-pentanone 114.6
    anisole 82.94
    cyclopentyl methyl ether 125.31
    gamma-butyrolactone 274.08
    1-methoxy-2-propanol 201.5
    pyridine 146.96
    3-pentanone 88.94
    furfural 208.38
    n-dodecane 2.98
    diethylene glycol 173.51
    diisopropyl ether 30.7
    tert-amyl alcohol 123.17
    acetylacetone 162.05
    n-hexadecane 3.39
    acetophenone 88.46
    methyl propionate 126.12
    isopentyl acetate 83.85
    trichloroethylene 405.28
    n-nonanol 35.78
    cyclohexanol 106.24
    benzyl alcohol 80.2
    2-ethylhexanol 47.68
    isooctanol 40.68
    dipropyl ether 47.92
    1,2-dichlorobenzene 86.92
    ethyl lactate 61.74
    propylene carbonate 140.17
    n-methylformamide 125.15
    2-pentanol 65.07
    n-pentane 3.6
    1-propoxy-2-propanol 100.29
    1-methoxy-2-propyl acetate 103.48
    2-(2-methoxypropoxy) propanol 82.53
    mesitylene 25.36
    ε-caprolactone 157.77
    p-cymene 25.09
    epichlorohydrin 324.48
    1,1,1-trichloroethane 204.31
    2-aminoethanol 96.77
    morpholine-4-carbaldehyde 221.15
    sulfolane 273.15
    2,2,4-trimethylpentane 5.38
    2-methyltetrahydrofuran 187.01
    n-hexyl acetate 72.86
    isooctane 3.88
    2-(2-butoxyethoxy)ethanol 108.37
    sec-butyl acetate 62.61
    tert-butyl acetate 110.32
    decalin 7.96
    glycerin 107.03
    diglyme 215.34
    acrylic acid 108.48
    isopropyl myristate 31.79
    n-butyric acid 163.36
    acetyl acetate 132.42
    di(2-ethylhexyl) phthalate 37.78
    ethyl propionate 79.52
    nitromethane 320.25
    1,2-diethoxyethane 88.16
    benzonitrile 73.96
    trioctyl phosphate 29.75
    1-bromopropane 91.49
    gamma-valerolactone 281.28
    n-decanol 27.1
    triethyl phosphate 50.9
    4-methyl-2-pentanol 43.64
    propionitrile 84.94
    vinylene carbonate 137.7
    1,1,2-trichlorotrifluoroethane 261.01
    DMS 79.13
    cumene 26.5
    2-octanol 29.99
    2-hexanone 75.99
    octyl acetate 41.19
    limonene 35.77
    1,2-dimethoxyethane 257.94
    ethyl orthosilicate 49.85
    tributyl phosphate 34.34
    diacetone alcohol 130.13
    N,N-dimethylaniline 59.3
    acrylonitrile 107.27
    aniline 86.01
    1,3-propanediol 176.49
    bromobenzene 76.37
    dibromomethane 213.21
    1,1,2,2-tetrachloroethane 336.4
    2-methyl-cyclohexyl acetate 69.3
    tetrabutyl urea 43.28
    diisobutyl methanol 31.25
    2-phenylethanol 79.65
    styrene 35.85
    dioctyl adipate 51.7
    dimethyl sulfate 125.42
    ethyl butyrate 68.22
    methyl lactate 82.68
    butyl lactate 51.76
    diethyl carbonate 57.85
    propanediol butyl ether 71.99
    triethyl orthoformate 59.11
    p-tert-butyltoluene 25.86
    methyl 4-tert-butylbenzoate 83.85
    morpholine 359.76
    tert-butylamine 90.42
    n-dodecanol 21.04
    dimethoxymethane 226.33
    ethylene carbonate 123.58
    cyrene 105.06
    2-ethoxyethyl acetate 89.66
    2-ethylhexyl acetate 62.93
    1,2,4-trichlorobenzene 101.13
    4-methylpyridine 113.6
    dibutyl ether 36.26
    2,6-dimethyl-4-heptanol 31.25
    DEF 125.23
    dimethyl isosorbide 143.25
    tetrachloroethylene 206.15
    eugenol 82.69
    triacetin 80.93
    span 80 67.77
    1,4-butanediol 64.09
    1,1-dichloroethane 191.26
    2-methyl-1-pentanol 71.37
    methyl formate 120.87
    2-methyl-1-butanol 81.55
    n-decane 4.89
    butyronitrile 82.8
    3,7-dimethyl-1-octanol 36.41
    1-chlorooctane 24.84
    1-chlorotetradecane 10.17
    n-nonane 4.32
    undecane 3.67
    tert-butylcyclohexane 7.64
    cyclooctane 3.78
    cyclopentanol 105.48
    tetrahydropyran 237.22
    tert-amyl methyl ether 80.29
    2,5,8-trioxanonane 149.09
    1-hexene 18.28
    2-isopropoxyethanol 127.79
    2,2,2-trifluoroethanol 106.73
    methyl butyrate 97.04

    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