Alismol

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  • Identifiers

    CAS number
    87827-55-2

    Molecular formula
    C15H24O

    SMILES
    CC(C)C1=C[C@H]2[C@H](CC[C@@]2(C)O)C(=C)CC1

    Safety labels

  • Odor profile

    Fragrance
    Woody 70.21%
    Spicy 59.62%
    Herbal 55.68%
    Fresh 39.49%
    Balsamic 39.39%
    Earthy 39.27%
    Fruity 38.71%
    Mint 34.4%
    Camphoreous 32.96%
    Citrus 32.33%

     

    Flavor
    Herbal 55.83%
    Woody 51.83%
    Herb 50.25%
    Spice 41.55%
    Minty 41.35%
    Wood 39.63%
    Mint 34.73%
    Fresh 31.21%
    Green 30.6%
    Fruity 29.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.05 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    310°C

    Flash point

    • 99.99 ˚C est.

  • Synonyms

    • Alismol
    • 87827-55-2
    • (1R,3aS,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
    • RefChem:110704
    • (1S,3aR,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
    • BUPJOLXWQXEJSQ-QLFBSQMISA-N
    • DTXSID001007815
    • SCHEMBL28307226
    • 1-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-ol
    • (1R,3aS,8aS)-1-methyl-4-methylidene-7-(propan-2-yl)-1,2,3,3a,4,5,6,8a-octahydroazulen-1-ol
    • 1-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-1-methyl-4-methylene-7-(1-methylethyl)-, (1R-(1alpha,3abeta,8abeta))-
    • 87827-55-2

  • Applications

    Alismol (CAS 87827-55-2) is a natural compound found in Alisma species and is primarily used as a fragrance ingredient and odorant. In practice, it is commonly evaluated for fragrance and cosmetic applications, can be used as a fragrance component in personal care formulations and to impart aroma in household products such as cleaners and detergents; it may serve as a chemical intermediate in industrial manufacturing for the synthesis of other aroma compounds; in some formulations it may act as a minor fragrance fixative or scent-modulating ingredient.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 425.49
    methanol 296.58
    isopropanol 605.73
    water 0.9
    ethyl acetate 392.02
    n-propanol 463.27
    acetone 490.82
    n-butanol 467.07
    acetonitrile 288.62
    DMF 556.44
    toluene 454.44
    isobutanol 399.46
    1,4-dioxane 1080.97
    methyl acetate 385.04
    THF 1423.41
    2-butanone 498.9
    n-pentanol 253.89
    sec-butanol 419.66
    n-hexane 40.02
    ethylene glycol 58.34
    NMP 312.84
    cyclohexane 111.8
    DMSO 366.55
    n-butyl acetate 399.27
    n-octanol 224.85
    chloroform 1253.3
    n-propyl acetate 239.17
    acetic acid 161.97
    dichloromethane 886.96
    cyclohexanone 582.61
    propylene glycol 143.95
    isopropyl acetate 307.43
    DMAc 481.11
    2-ethoxyethanol 293.75
    isopentanol 406.28
    n-heptane 58.06
    ethyl formate 246.02
    1,2-dichloroethane 430.58
    n-hexanol 415.88
    2-methoxyethanol 511.39
    isobutyl acetate 223.03
    tetrachloromethane 209.93
    n-pentyl acetate 276.52
    transcutol 884.46
    n-heptanol 224.16
    ethylbenzene 233.26
    MIBK 283.63
    2-propoxyethanol 523.04
    tert-butanol 640.65
    MTBE 518.77
    2-butoxyethanol 334.93
    propionic acid 198.3
    o-xylene 258.47
    formic acid 38.51
    diethyl ether 414.22
    m-xylene 288.67
    p-xylene 303.89
    chlorobenzene 364.51
    dimethyl carbonate 147.51
    n-octane 29.65
    formamide 86.07
    cyclopentanone 688.96
    2-pentanone 382.08
    anisole 385.75
    cyclopentyl methyl ether 410.03
    gamma-butyrolactone 570.36
    1-methoxy-2-propanol 521.81
    pyridine 695.13
    3-pentanone 273.73
    furfural 477.77
    n-dodecane 28.5
    diethylene glycol 301.25
    diisopropyl ether 147.82
    tert-amyl alcohol 380.63
    acetylacetone 414.55
    n-hexadecane 33.2
    acetophenone 299.81
    methyl propionate 277.78
    isopentyl acetate 396.89
    trichloroethylene 811.31
    n-nonanol 204.68
    cyclohexanol 347.32
    benzyl alcohol 294.02
    2-ethylhexanol 237.89
    isooctanol 186.77
    dipropyl ether 284.73
    1,2-dichlorobenzene 294.55
    ethyl lactate 131.95
    propylene carbonate 348.15
    n-methylformamide 202.27
    2-pentanol 303.91
    n-pentane 56.02
    1-propoxy-2-propanol 436.8
    1-methoxy-2-propyl acetate 402.74
    2-(2-methoxypropoxy) propanol 329.8
    mesitylene 180.65
    ε-caprolactone 446.36
    p-cymene 177.95
    epichlorohydrin 656.34
    1,1,1-trichloroethane 532.12
    2-aminoethanol 167.65
    morpholine-4-carbaldehyde 513.03
    sulfolane 458.56
    2,2,4-trimethylpentane 36.36
    2-methyltetrahydrofuran 755.49
    n-hexyl acetate 368.86
    isooctane 37.09
    2-(2-butoxyethoxy)ethanol 435.22
    sec-butyl acetate 199.7
    tert-butyl acetate 332.99
    decalin 57.18
    glycerin 154.34
    diglyme 702.6
    acrylic acid 139.59
    isopropyl myristate 183.64
    n-butyric acid 362.57
    acetyl acetate 258.74
    di(2-ethylhexyl) phthalate 179.82
    ethyl propionate 207.8
    nitromethane 291.49
    1,2-diethoxyethane 439.96
    benzonitrile 379.38
    trioctyl phosphate 132.76
    1-bromopropane 377.94
    gamma-valerolactone 740.79
    n-decanol 159.37
    triethyl phosphate 134.86
    4-methyl-2-pentanol 211.17
    propionitrile 362.26
    vinylene carbonate 349.39
    1,1,2-trichlorotrifluoroethane 353.77
    DMS 238.29
    cumene 163.7
    2-octanol 169.87
    2-hexanone 259.23
    octyl acetate 218.4
    limonene 220.6
    1,2-dimethoxyethane 617.51
    ethyl orthosilicate 135.02
    tributyl phosphate 142.89
    diacetone alcohol 336.31
    N,N-dimethylaniline 252.59
    acrylonitrile 330.57
    aniline 373.95
    1,3-propanediol 300.5
    bromobenzene 417.07
    dibromomethane 602.89
    1,1,2,2-tetrachloroethane 643.37
    2-methyl-cyclohexyl acetate 257.34
    tetrabutyl urea 185.08
    diisobutyl methanol 168.26
    2-phenylethanol 343.34
    styrene 260.52
    dioctyl adipate 225.51
    dimethyl sulfate 177.21
    ethyl butyrate 269.29
    methyl lactate 161.33
    butyl lactate 226.64
    diethyl carbonate 182.76
    propanediol butyl ether 320.94
    triethyl orthoformate 202.89
    p-tert-butyltoluene 188.85
    methyl 4-tert-butylbenzoate 293.38
    morpholine 994.83
    tert-butylamine 432.47
    n-dodecanol 127.17
    dimethoxymethane 470.84
    ethylene carbonate 306.5
    cyrene 259.74
    2-ethoxyethyl acetate 336.28
    2-ethylhexyl acetate 304.12
    1,2,4-trichlorobenzene 354.49
    4-methylpyridine 653.13
    dibutyl ether 251.4
    2,6-dimethyl-4-heptanol 168.26
    DEF 307.23
    dimethyl isosorbide 496.97
    tetrachloroethylene 361.59
    eugenol 274.23
    triacetin 302.98
    span 80 317.28
    1,4-butanediol 110.09
    1,1-dichloroethane 556.53
    2-methyl-1-pentanol 234.49
    methyl formate 164.51
    2-methyl-1-butanol 339.42
    n-decane 45.75
    butyronitrile 424.7
    3,7-dimethyl-1-octanol 232.16
    1-chlorooctane 145.98
    1-chlorotetradecane 71.22
    n-nonane 41.22
    undecane 35.1
    tert-butylcyclohexane 53.97
    cyclooctane 41.31
    cyclopentanol 362.57
    tetrahydropyran 961.23
    tert-amyl methyl ether 280.56
    2,5,8-trioxanonane 491.74
    1-hexene 156.28
    2-isopropoxyethanol 241.84
    2,2,2-trifluoroethanol 72.23
    methyl butyrate 273.51

    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