Encecalol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    88728-56-7

    Molecular formula
    C14H18O3

    SMILES
    CC(C1=C(C=C2C(=C1)C=CC(O2)(C)C)OC)O

    Retention indicies (RI)

    • Carbowax: 2545.0

  • Odor profile

    Fragrance
    Sweet 62.56%
    Floral 40.39%
    Spicy 38.53%
    Powdery 37.13%
    Vanilla 36.8%
    Woody 33.27%
    Phenolic 32.77%
    Creamy 29.8%
    Herbal 28.95%
    Balsamic 27.97%

     

    Flavor
    Bitter 64.7%
    Floral 26.55%
    Woody 25.49%
    Herbal 24.94%
    Parsley 20.9%
    Spice 20.79%
    Flower 20.76%
    Camphor 20.01%
    Sweet 19.96%
    Ripe apricot 19.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.09 (weak base)

    Molecular weight
    234.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    368°C

    Flash point

    • 150.3 ˚C est.

  • Synonyms

    • 88728-56-7
    • Encecalol
    • 2H-1-Benzopyran-6-methanol, 7-methoxy-alpha,2,2-trimethyl-, (alphaR)-
    • CHEMBL4847960
    • ZMQPULSGBXIVGC-UHFFFAOYSA-N
    • DTXSID201008326
    • 6-(1-hydroxyethyl)-7-methoxy-2,2-dimethylchromene
    • 6-(1'-Hydroxyethyl)-7-methoxy-2,2-dimethylchromene
    • 1-(7-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethan-1-ol

  • Applications

    Encecalol (CAS 88728-56-7) is primarily used as an odorant/fragrance ingredient in perfumery and cosmetics/personal care applications, where it contributes scent profiles to fragrances and personal care formulations. It may also be incorporated into household products and cleaners to impart or refresh fragrance. In plastics and polymer formulations, it can serve as a fragrance additive or processing aid to promote scent release in finished materials. It may be used in coatings and inks as a fragrance component or odorant, contributing to scent when the product is in use. Additionally, it can function as an intermediate in fragrance synthesis, supporting the preparation of more complex aroma compounds. All use is subject to local regulations and formulation limitations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 105.23
    methanol 151.16
    isopropanol 112.57
    water 1.25
    ethyl acetate 191.43
    n-propanol 105.22
    acetone 240.71
    n-butanol 103.67
    acetonitrile 140.21
    DMF 528.17
    toluene 75.59
    isobutanol 93.06
    1,4-dioxane 443.37
    methyl acetate 232.5
    THF 559.46
    2-butanone 173.3
    n-pentanol 75.3
    sec-butanol 84.04
    n-hexane 9.1
    ethylene glycol 79.18
    NMP 355.6
    cyclohexane 19.69
    DMSO 374.94
    n-butyl acetate 118.09
    n-octanol 69.93
    chloroform 473.87
    n-propyl acetate 98.37
    acetic acid 171.9
    dichloromethane 361.61
    cyclohexanone 247.79
    propylene glycol 100.71
    isopropyl acetate 115.39
    DMAc 543.86
    2-ethoxyethanol 173.96
    isopentanol 108.01
    n-heptane 9.13
    ethyl formate 119.11
    1,2-dichloroethane 252.56
    n-hexanol 102.22
    2-methoxyethanol 313.99
    isobutyl acetate 85.89
    tetrachloromethane 55.71
    n-pentyl acetate 84.44
    transcutol 549.56
    n-heptanol 56.31
    ethylbenzene 42.32
    MIBK 106.84
    2-propoxyethanol 233.19
    tert-butanol 194.66
    MTBE 170.71
    2-butoxyethanol 114.88
    propionic acid 130.32
    o-xylene 58.82
    formic acid 86.75
    diethyl ether 142.14
    m-xylene 67.79
    p-xylene 59.04
    chlorobenzene 117.57
    dimethyl carbonate 166.89
    n-octane 6.27
    formamide 112.89
    cyclopentanone 316.29
    2-pentanone 139.45
    anisole 126.05
    cyclopentyl methyl ether 198.78
    gamma-butyrolactone 373.85
    1-methoxy-2-propanol 248.64
    pyridine 165.34
    3-pentanone 137.36
    furfural 299.97
    n-dodecane 7.83
    diethylene glycol 248.52
    diisopropyl ether 52.89
    tert-amyl alcohol 123.64
    acetylacetone 214.33
    n-hexadecane 9.07
    acetophenone 110.87
    methyl propionate 201.46
    isopentyl acetate 118.34
    trichloroethylene 469.48
    n-nonanol 63.7
    cyclohexanol 125.55
    benzyl alcohol 94.8
    2-ethylhexanol 66.41
    isooctanol 49.56
    dipropyl ether 75.81
    1,2-dichlorobenzene 126.74
    ethyl lactate 84.16
    propylene carbonate 212.65
    n-methylformamide 175.79
    2-pentanol 74.47
    n-pentane 9.11
    1-propoxy-2-propanol 141.13
    1-methoxy-2-propyl acetate 165.13
    2-(2-methoxypropoxy) propanol 139.52
    mesitylene 46.31
    ε-caprolactone 223.86
    p-cymene 37.45
    epichlorohydrin 421.07
    1,1,1-trichloroethane 229.42
    2-aminoethanol 92.42
    morpholine-4-carbaldehyde 426.82
    sulfolane 385.45
    2,2,4-trimethylpentane 10.73
    2-methyltetrahydrofuran 286.84
    n-hexyl acetate 135.49
    isooctane 8.56
    2-(2-butoxyethoxy)ethanol 179.35
    sec-butyl acetate 79.84
    tert-butyl acetate 138.57
    decalin 13.48
    glycerin 173.05
    diglyme 344.11
    acrylic acid 132.72
    isopropyl myristate 61.62
    n-butyric acid 149.1
    acetyl acetate 160.06
    di(2-ethylhexyl) phthalate 63.74
    ethyl propionate 105.14
    nitromethane 345.99
    1,2-diethoxyethane 175.13
    benzonitrile 113.18
    trioctyl phosphate 50.65
    1-bromopropane 105.35
    gamma-valerolactone 417.95
    n-decanol 50.6
    triethyl phosphate 69.07
    4-methyl-2-pentanol 61.43
    propionitrile 111.51
    vinylene carbonate 219.97
    1,1,2-trichlorotrifluoroethane 279.74
    DMS 174.94
    cumene 36.61
    2-octanol 43.02
    2-hexanone 93.4
    octyl acetate 78.22
    limonene 50.74
    1,2-dimethoxyethane 304.1
    ethyl orthosilicate 65.87
    tributyl phosphate 63.34
    diacetone alcohol 168.66
    N,N-dimethylaniline 84.48
    acrylonitrile 143.72
    aniline 110.4
    1,3-propanediol 143.21
    bromobenzene 119.61
    dibromomethane 215.78
    1,1,2,2-tetrachloroethane 392.43
    2-methyl-cyclohexyl acetate 89.33
    tetrabutyl urea 79.05
    diisobutyl methanol 45.84
    2-phenylethanol 98.22
    styrene 49.31
    dioctyl adipate 85.08
    dimethyl sulfate 251.86
    ethyl butyrate 85.04
    methyl lactate 139.19
    butyl lactate 80.87
    diethyl carbonate 78.91
    propanediol butyl ether 132.09
    triethyl orthoformate 79.26
    p-tert-butyltoluene 40.86
    methyl 4-tert-butylbenzoate 111.1
    morpholine 407.36
    tert-butylamine 98.34
    n-dodecanol 41.51
    dimethoxymethane 353.27
    ethylene carbonate 196.14
    cyrene 150.97
    2-ethoxyethyl acetate 146.12
    2-ethylhexyl acetate 95.42
    1,2,4-trichlorobenzene 149.68
    4-methylpyridine 181.33
    dibutyl ether 81.31
    2,6-dimethyl-4-heptanol 45.84
    DEF 189.77
    dimethyl isosorbide 228.85
    tetrachloroethylene 228.97
    eugenol 107.05
    triacetin 156.7
    span 80 112.15
    1,4-butanediol 68.15
    1,1-dichloroethane 222.26
    2-methyl-1-pentanol 78.1
    methyl formate 194.91
    2-methyl-1-butanol 92.4
    n-decane 12.17
    butyronitrile 98.04
    3,7-dimethyl-1-octanol 69.38
    1-chlorooctane 51.48
    1-chlorotetradecane 23.89
    n-nonane 11.1
    undecane 9.56
    tert-butylcyclohexane 13.67
    cyclooctane 8.32
    cyclopentanol 136.27
    tetrahydropyran 270.07
    tert-amyl methyl ether 120.7
    2,5,8-trioxanonane 252.25
    1-hexene 29.9
    2-isopropoxyethanol 131.72
    2,2,2-trifluoroethanol 109.53
    methyl butyrate 118.32

    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

Botanical

Name CAS Botanical Proportion
Ageratum conyzoides (Nigeria) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.35%