Barbatusol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    88515-76-8

    Molecular formula
    C20H28O2

    SMILES
    CC(C)C1=C(C(=C2CC3=CCCC(C3CCC2=C1)(C)C)O)O

  • Odor profile

    Phenolic 56.5%
    Spicy 54.2%
    Woody 52.21%
    Dry 35.55%
    Smoky 34.48%
    Leathery 32.21%
    Musk 30.21%
    Medicinal 29.95%
    Balsamic 27.83%
    Amber 27.68%

    Scent© AI

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    9.69 (weak base)

    Molecular weight
    300.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    553°C

    Flash point est.
    187.79 ˚C

  • Synonyms

    • Barbatusol
    • 12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7-tetraene-4,5-diol
    • 8-Isopropyl-1,1-dimethyl-2,3,5,10,11,11a-hexahydro-1H-dibenzo[a,d]cycloheptene-6,7-diol-, (11aS)-
    • ZSBGZCORDLYKJB-UHFFFAOYSA-N
    • 1H-Dibenzo[a,d]cycloheptene-6,7-diol, 2,3,5,10,11,11a-hexahydro-1,1-dimethyl-8-(1-methylethyl)-, (11aS)-
    • 1H-Dibenzo[a,d]cycloheptene-6,7-diol, 2,3,5,10,11,11a-hexahydro-1,1-dimethyl-8-(1-methylethyl)-, (S)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 247.38
    methanol 144.38
    isopropanol 193.28
    water 0.05
    ethyl acetate 340.8
    n-propanol 275.27
    acetone 271.19
    n-butanol 267.83
    acetonitrile 49.4
    DMF 521.09
    toluene 216.33
    isobutanol 162.64
    1,4-dioxane 450.07
    methyl acetate 183.69
    THF 703.15
    2-butanone 317.02
    n-pentanol 83.56
    sec-butanol 105.31
    n-hexane 7.55
    ethylene glycol 9.27
    NMP 168.83
    cyclohexane 17.75
    DMSO 138.31
    n-butyl acetate 247.84
    n-octanol 47.19
    chloroform 304.21
    n-propyl acetate 131.86
    acetic acid 59.39
    dichloromethane 245.75
    cyclohexanone 333.56
    propylene glycol 19.48
    isopropyl acetate 264.98
    DMAc 347.98
    2-ethoxyethanol 165.41
    isopentanol 196.56
    n-heptane 8.82
    ethyl formate 79.53
    1,2-dichloroethane 230.1
    n-hexanol 173.01
    2-methoxyethanol 381.95
    isobutyl acetate 115.37
    tetrachloromethane 39.13
    n-pentyl acetate 180.09
    transcutol 727.78
    n-heptanol 81.72
    ethylbenzene 72.4
    MIBK 221.56
    2-propoxyethanol 383.98
    tert-butanol 203.08
    MTBE 376.09
    2-butoxyethanol 191.06
    propionic acid 65.12
    o-xylene 94.67
    formic acid 15.84
    diethyl ether 459.67
    m-xylene 144.76
    p-xylene 77.34
    chlorobenzene 137.62
    dimethyl carbonate 113.89
    n-octane 5.22
    formamide 44.86
    cyclopentanone 350.18
    2-pentanone 368.36
    anisole 156.14
    cyclopentyl methyl ether 314.18
    gamma-butyrolactone 251.72
    1-methoxy-2-propanol 314.46
    pyridine 303.54
    3-pentanone 227.96
    furfural 179.47
    n-dodecane 3.26
    diethylene glycol 156.07
    diisopropyl ether 114.04
    tert-amyl alcohol 121.11
    acetylacetone 286.7
    n-hexadecane 4.04
    acetophenone 119.62
    methyl propionate 259.52
    isopentyl acetate 266.33
    trichloroethylene 365.97
    n-nonanol 52.25
    cyclohexanol 120.04
    benzyl alcohol 98.83
    2-ethylhexanol 87.22
    isooctanol 73.92
    dipropyl ether 140.15
    1,2-dichlorobenzene 117.22
    ethyl lactate 54.61
    propylene carbonate 135.63
    n-methylformamide 136.05
    2-pentanol 126.37
    n-pentane 12.76
    1-propoxy-2-propanol 236.59
    1-methoxy-2-propyl acetate 327.02
    2-(2-methoxypropoxy) propanol 144.55
    mesitylene 77.32
    ε-caprolactone 253.5
    p-cymene 51.9
    epichlorohydrin 379.0
    1,1,1-trichloroethane 174.96
    2-aminoethanol 45.1
    morpholine-4-carbaldehyde 327.9
    sulfolane 215.29
    2,2,4-trimethylpentane 8.15
    2-methyltetrahydrofuran 325.83
    n-hexyl acetate 172.71
    isooctane 9.71
    2-(2-butoxyethoxy)ethanol 238.5
    sec-butyl acetate 118.29
    tert-butyl acetate 290.35
    decalin 10.11
    glycerin 35.77
    diglyme 436.53
    acrylic acid 45.11
    isopropyl myristate 62.61
    n-butyric acid 177.9
    acetyl acetate 131.97
    di(2-ethylhexyl) phthalate 61.41
    ethyl propionate 135.35
    nitromethane 131.51
    1,2-diethoxyethane 329.65
    benzonitrile 97.19
    trioctyl phosphate 46.94
    1-bromopropane 154.6
    gamma-valerolactone 479.14
    n-decanol 37.46
    triethyl phosphate 60.03
    4-methyl-2-pentanol 90.12
    propionitrile 113.36
    vinylene carbonate 124.77
    1,1,2-trichlorotrifluoroethane 173.59
    DMS 154.75
    cumene 48.95
    2-octanol 50.91
    2-hexanone 123.93
    octyl acetate 76.38
    limonene 63.1
    1,2-dimethoxyethane 340.97
    ethyl orthosilicate 69.29
    tributyl phosphate 51.74
    diacetone alcohol 229.14
    N,N-dimethylaniline 96.77
    acrylonitrile 114.25
    aniline 185.78
    1,3-propanediol 142.93
    bromobenzene 142.04
    dibromomethane 165.44
    1,1,2,2-tetrachloroethane 280.79
    2-methyl-cyclohexyl acetate 106.21
    tetrabutyl urea 65.65
    diisobutyl methanol 58.19
    2-phenylethanol 151.83
    styrene 81.48
    dioctyl adipate 83.26
    dimethyl sulfate 124.05
    ethyl butyrate 131.94
    methyl lactate 80.42
    butyl lactate 113.62
    diethyl carbonate 80.19
    propanediol butyl ether 118.62
    triethyl orthoformate 105.87
    p-tert-butyltoluene 59.85
    methyl 4-tert-butylbenzoate 137.46
    morpholine 602.19
    tert-butylamine 114.74
    n-dodecanol 27.0
    dimethoxymethane 609.85
    ethylene carbonate 116.48
    cyrene 112.84
    2-ethoxyethyl acetate 290.01
    2-ethylhexyl acetate 193.67
    1,2,4-trichlorobenzene 131.71
    4-methylpyridine 302.49
    dibutyl ether 83.83
    2,6-dimethyl-4-heptanol 58.19
    DEF 281.66
    dimethyl isosorbide 252.12
    tetrachloroethylene 165.78
    eugenol 132.84
    triacetin 128.8
    span 80 112.61
    1,4-butanediol 26.71
    1,1-dichloroethane 189.45
    2-methyl-1-pentanol 84.81
    methyl formate 77.95
    2-methyl-1-butanol 153.21
    n-decane 6.49
    butyronitrile 133.72
    3,7-dimethyl-1-octanol 61.62
    1-chlorooctane 33.88
    1-chlorotetradecane 12.8
    n-nonane 5.51
    undecane 4.41
    tert-butylcyclohexane 11.05
    cyclooctane 7.32
    cyclopentanol 83.68
    tetrahydropyran 521.16
    tert-amyl methyl ether 178.13
    2,5,8-trioxanonane 236.64
    1-hexene 40.72
    2-isopropoxyethanol 123.6
    2,2,2-trifluoroethanol 22.11
    methyl butyrate 140.85

    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, spanish 2 8016-65-7 Salvia lavandulaefolia Vahl., fam. Lamiaceae (Labiatae) 0.6%