trans-alpha-Bergamotol acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C17H26O2

    SMILES
    CC1=CC[C@H]2C[C@@H]1[C@]2(C)CC/C=C(\C)/COC(=O)C

    Retention indicies (RI)

    • DB5: 1676.0

  • Odor profile

    Woody 80.17%
    Sweet 61.01%
    Floral 58.43%
    Fruity 50.17%
    Powdery 42.9%
    Violet 42.44%
    Green 37.76%
    Fresh 37.61%
    Balsamic 35.71%
    Sandalwood 35.51%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.25 (weak base)

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point est.
    138.42 ˚C

  • Synonyms

    • trans-.alpha.-Bergamotol acetate
    • BDYQEBZJCFGMCH-WIFJEQQVSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 661.24
    methanol 361.0
    isopropanol 585.37
    water 0.25
    ethyl acetate 678.45
    n-propanol 565.7
    acetone 391.51
    n-butanol 482.35
    acetonitrile 263.86
    DMF 290.7
    toluene 457.22
    isobutanol 344.72
    1,4-dioxane 1180.62
    methyl acetate 433.81
    THF 1195.19
    2-butanone 449.31
    n-pentanol 225.03
    sec-butanol 371.76
    n-hexane 20.42
    ethylene glycol 36.32
    NMP 124.04
    cyclohexane 63.2
    DMSO 170.8
    n-butyl acetate 296.94
    n-octanol 72.34
    chloroform 1332.2
    n-propyl acetate 267.0
    acetic acid 151.71
    dichloromethane 845.66
    cyclohexanone 388.21
    propylene glycol 106.05
    isopropyl acetate 420.01
    DMAc 320.1
    2-ethoxyethanol 403.44
    isopentanol 356.0
    n-heptane 10.81
    ethyl formate 185.93
    1,2-dichloroethane 487.38
    n-hexanol 283.37
    2-methoxyethanol 665.38
    isobutyl acetate 199.17
    tetrachloromethane 126.95
    n-pentyl acetate 151.35
    transcutol 1584.84
    n-heptanol 93.87
    ethylbenzene 158.54
    MIBK 264.1
    2-propoxyethanol 587.63
    tert-butanol 479.1
    MTBE 629.36
    2-butoxyethanol 241.01
    propionic acid 170.66
    o-xylene 193.09
    formic acid 53.1
    diethyl ether 819.47
    m-xylene 260.0
    p-xylene 176.89
    chlorobenzene 305.44
    dimethyl carbonate 145.01
    n-octane 4.98
    formamide 108.74
    cyclopentanone 371.76
    2-pentanone 411.96
    anisole 337.48
    cyclopentyl methyl ether 442.66
    gamma-butyrolactone 335.38
    1-methoxy-2-propanol 587.55
    pyridine 511.52
    3-pentanone 295.84
    furfural 328.83
    n-dodecane 4.51
    diethylene glycol 331.43
    diisopropyl ether 170.69
    tert-amyl alcohol 298.02
    acetylacetone 367.24
    n-hexadecane 5.45
    acetophenone 218.38
    methyl propionate 374.63
    isopentyl acetate 285.47
    trichloroethylene 826.83
    n-nonanol 73.44
    cyclohexanol 277.61
    benzyl alcohol 206.13
    2-ethylhexanol 122.78
    isooctanol 80.63
    dipropyl ether 165.39
    1,2-dichlorobenzene 245.58
    ethyl lactate 117.46
    propylene carbonate 214.16
    n-methylformamide 166.84
    2-pentanol 290.09
    n-pentane 31.15
    1-propoxy-2-propanol 359.16
    1-methoxy-2-propyl acetate 451.29
    2-(2-methoxypropoxy) propanol 247.19
    mesitylene 138.11
    ε-caprolactone 385.15
    p-cymene 67.93
    epichlorohydrin 668.43
    1,1,1-trichloroethane 438.33
    2-aminoethanol 157.82
    morpholine-4-carbaldehyde 405.68
    sulfolane 196.44
    2,2,4-trimethylpentane 16.87
    2-methyltetrahydrofuran 687.56
    n-hexyl acetate 196.1
    isooctane 16.93
    2-(2-butoxyethoxy)ethanol 371.82
    sec-butyl acetate 252.55
    tert-butyl acetate 370.19
    decalin 24.55
    glycerin 111.01
    diglyme 652.78
    acrylic acid 103.05
    isopropyl myristate 78.03
    n-butyric acid 324.89
    acetyl acetate 279.69
    di(2-ethylhexyl) phthalate 77.87
    ethyl propionate 248.53
    nitromethane 246.58
    1,2-diethoxyethane 519.48
    benzonitrile 226.14
    trioctyl phosphate 49.41
    1-bromopropane 386.3
    gamma-valerolactone 606.14
    n-decanol 52.9
    triethyl phosphate 86.39
    4-methyl-2-pentanol 175.6
    propionitrile 308.05
    vinylene carbonate 221.87
    1,1,2-trichlorotrifluoroethane 312.92
    DMS 204.29
    cumene 95.48
    2-octanol 58.97
    2-hexanone 216.92
    octyl acetate 93.95
    limonene 81.33
    1,2-dimethoxyethane 604.09
    ethyl orthosilicate 90.01
    tributyl phosphate 64.44
    diacetone alcohol 320.78
    N,N-dimethylaniline 176.57
    acrylonitrile 256.35
    aniline 392.22
    1,3-propanediol 319.51
    bromobenzene 328.32
    dibromomethane 580.32
    1,1,2,2-tetrachloroethane 715.92
    2-methyl-cyclohexyl acetate 153.49
    tetrabutyl urea 75.69
    diisobutyl methanol 77.58
    2-phenylethanol 240.38
    styrene 182.07
    dioctyl adipate 103.83
    dimethyl sulfate 122.91
    ethyl butyrate 200.65
    methyl lactate 143.77
    butyl lactate 130.56
    diethyl carbonate 134.91
    propanediol butyl ether 194.79
    triethyl orthoformate 147.67
    p-tert-butyltoluene 68.44
    methyl 4-tert-butylbenzoate 167.65
    morpholine 1295.25
    tert-butylamine 300.35
    n-dodecanol 39.75
    dimethoxymethane 554.79
    ethylene carbonate 221.61
    cyrene 154.45
    2-ethoxyethyl acetate 311.25
    2-ethylhexyl acetate 214.32
    1,2,4-trichlorobenzene 271.96
    4-methylpyridine 553.18
    dibutyl ether 121.69
    2,6-dimethyl-4-heptanol 77.58
    DEF 300.89
    dimethyl isosorbide 327.84
    tetrachloroethylene 377.54
    eugenol 170.9
    triacetin 225.65
    span 80 169.91
    1,4-butanediol 91.58
    1,1-dichloroethane 604.55
    2-methyl-1-pentanol 197.13
    methyl formate 101.64
    2-methyl-1-butanol 307.8
    n-decane 8.36
    butyronitrile 335.53
    3,7-dimethyl-1-octanol 101.03
    1-chlorooctane 46.83
    1-chlorotetradecane 18.04
    n-nonane 7.14
    undecane 5.89
    tert-butylcyclohexane 22.26
    cyclooctane 17.69
    cyclopentanol 216.18
    tetrahydropyran 1048.02
    tert-amyl methyl ether 312.39
    2,5,8-trioxanonane 405.12
    1-hexene 104.29
    2-isopropoxyethanol 307.66
    2,2,2-trifluoroethanol 66.55
    methyl butyrate 260.75

    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
Sage, dalmatian (Egypt) 2a 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.85%
Sage, dalmatian (Egypt) 2b 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.38%