alpha-Acetoxyelemol

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C17H28O2

    SMILES
    CC(=C)[C@H]1CC(CC[C@]1(C)C=C)C(C)(C)OC(=O)C

    Retention indicies (RI)

    • DB5: 1740.0

  • Odor profile

    Woody 79.05%
    Sweet 71.46%
    Citrus 71.25%
    Herbal 62.62%
    Floral 59.08%
    Green 55.56%
    Fresh 53.13%
    Spicy 51.04%
    Fruity 49.96%
    Lavender 49.27%

    Scent© AI

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.97 (neutral)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    283°C

    Flash point est.
    128.59 ˚C

  • Synonyms

    • .alpha.-Acetoxyelemol

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 658.99
    methanol 758.49
    isopropanol 673.96
    water 1.31
    ethyl acetate 543.17
    n-propanol 591.72
    acetone 500.32
    n-butanol 544.94
    acetonitrile 418.82
    DMF 1083.31
    toluene 670.36
    isobutanol 518.08
    1,4-dioxane 1220.65
    methyl acetate 458.09
    THF 1801.63
    2-butanone 494.77
    n-pentanol 398.18
    sec-butanol 536.19
    n-hexane 78.14
    ethylene glycol 74.46
    NMP 966.74
    cyclohexane 150.04
    DMSO 437.66
    n-butyl acetate 443.54
    n-octanol 253.6
    chloroform 1707.89
    n-propyl acetate 299.88
    acetic acid 391.55
    dichloromethane 1212.35
    cyclohexanone 881.74
    propylene glycol 213.4
    isopropyl acetate 429.57
    DMAc 878.94
    2-ethoxyethanol 368.53
    isopentanol 533.13
    n-heptane 46.08
    ethyl formate 302.41
    1,2-dichloroethane 620.19
    n-hexanol 643.41
    2-methoxyethanol 654.65
    isobutyl acetate 261.6
    tetrachloromethane 230.52
    n-pentyl acetate 326.58
    transcutol 1449.97
    n-heptanol 253.31
    ethylbenzene 293.63
    MIBK 372.44
    2-propoxyethanol 784.98
    tert-butanol 828.84
    MTBE 674.59
    2-butoxyethanol 367.79
    propionic acid 344.17
    o-xylene 354.02
    formic acid 138.24
    diethyl ether 492.14
    m-xylene 489.94
    p-xylene 376.68
    chlorobenzene 591.55
    dimethyl carbonate 232.07
    n-octane 19.39
    formamide 177.42
    cyclopentanone 889.85
    2-pentanone 461.51
    anisole 465.16
    cyclopentyl methyl ether 810.98
    gamma-butyrolactone 971.33
    1-methoxy-2-propanol 715.62
    pyridine 784.0
    3-pentanone 363.26
    furfural 714.26
    n-dodecane 15.87
    diethylene glycol 429.39
    diisopropyl ether 217.66
    tert-amyl alcohol 579.33
    acetylacetone 516.22
    n-hexadecane 18.77
    acetophenone 361.71
    methyl propionate 432.28
    isopentyl acetate 442.85
    trichloroethylene 1230.13
    n-nonanol 222.38
    cyclohexanol 651.34
    benzyl alcohol 374.28
    2-ethylhexanol 294.63
    isooctanol 209.85
    dipropyl ether 280.74
    1,2-dichlorobenzene 467.95
    ethyl lactate 176.43
    propylene carbonate 578.08
    n-methylformamide 388.18
    2-pentanol 407.48
    n-pentane 74.37
    1-propoxy-2-propanol 567.28
    1-methoxy-2-propyl acetate 539.46
    2-(2-methoxypropoxy) propanol 391.69
    mesitylene 263.04
    ε-caprolactone 777.11
    p-cymene 160.9
    epichlorohydrin 1038.96
    1,1,1-trichloroethane 744.82
    2-aminoethanol 244.38
    morpholine-4-carbaldehyde 1017.54
    sulfolane 823.16
    2,2,4-trimethylpentane 49.81
    2-methyltetrahydrofuran 1153.62
    n-hexyl acetate 489.33
    isooctane 41.76
    2-(2-butoxyethoxy)ethanol 521.88
    sec-butyl acetate 259.57
    tert-butyl acetate 484.94
    decalin 74.87
    glycerin 241.46
    diglyme 792.51
    acrylic acid 254.91
    isopropyl myristate 172.56
    n-butyric acid 513.49
    acetyl acetate 384.92
    di(2-ethylhexyl) phthalate 186.51
    ethyl propionate 283.75
    nitromethane 518.95
    1,2-diethoxyethane 470.77
    benzonitrile 464.47
    trioctyl phosphate 137.74
    1-bromopropane 501.37
    gamma-valerolactone 1114.82
    n-decanol 154.41
    triethyl phosphate 149.85
    4-methyl-2-pentanol 277.3
    propionitrile 411.22
    vinylene carbonate 531.33
    1,1,2-trichlorotrifluoroethane 574.6
    DMS 356.36
    cumene 190.93
    2-octanol 190.64
    2-hexanone 321.91
    octyl acetate 224.75
    limonene 230.39
    1,2-dimethoxyethane 635.7
    ethyl orthosilicate 153.63
    tributyl phosphate 159.87
    diacetone alcohol 503.4
    N,N-dimethylaniline 324.4
    acrylonitrile 418.69
    aniline 587.48
    1,3-propanediol 363.51
    bromobenzene 628.18
    dibromomethane 817.3
    1,1,2,2-tetrachloroethane 1070.01
    2-methyl-cyclohexyl acetate 300.58
    tetrabutyl urea 202.46
    diisobutyl methanol 153.81
    2-phenylethanol 464.26
    styrene 335.66
    dioctyl adipate 230.42
    dimethyl sulfate 319.52
    ethyl butyrate 280.65
    methyl lactate 259.46
    butyl lactate 262.68
    diethyl carbonate 195.22
    propanediol butyl ether 433.86
    triethyl orthoformate 222.04
    p-tert-butyltoluene 166.83
    methyl 4-tert-butylbenzoate 357.9
    morpholine 1400.87
    tert-butylamine 574.33
    n-dodecanol 112.44
    dimethoxymethane 708.75
    ethylene carbonate 463.19
    cyrene 347.2
    2-ethoxyethyl acetate 415.2
    2-ethylhexyl acetate 363.21
    1,2,4-trichlorobenzene 571.53
    4-methylpyridine 1032.2
    dibutyl ether 251.06
    2,6-dimethyl-4-heptanol 153.81
    DEF 516.35
    dimethyl isosorbide 657.93
    tetrachloroethylene 601.37
    eugenol 327.95
    triacetin 376.62
    span 80 383.78
    1,4-butanediol 143.5
    1,1-dichloroethane 804.82
    2-methyl-1-pentanol 391.01
    methyl formate 292.15
    2-methyl-1-butanol 497.76
    n-decane 30.52
    butyronitrile 499.19
    3,7-dimethyl-1-octanol 267.3
    1-chlorooctane 155.12
    1-chlorotetradecane 58.41
    n-nonane 29.04
    undecane 21.09
    tert-butylcyclohexane 69.96
    cyclooctane 48.03
    cyclopentanol 612.89
    tetrahydropyran 1207.05
    tert-amyl methyl ether 449.78
    2,5,8-trioxanonane 544.88
    1-hexene 255.24
    2-isopropoxyethanol 304.99
    2,2,2-trifluoroethanol 155.91
    methyl butyrate 342.63

    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
Salvia desoleana (Italy) 1a CO2-extract Salvia desoleana, fam. Lamiaceae (Labiatae) 0.2%
Salvia desoleana (Italy) 1b hydrodistilled Salvia desoleana, fam. Lamiaceae (Labiatae) 0.4%