(+)-alpha-Barbatene

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  • Identifiers

    CAS number
    53060-59-6

    Molecular formula
    C15H24

    SMILES
    CC1=CC[C@@]2(C[C@H]1[C@]3([C@@]2(CCC3)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.19%
    Dry 50.01%
    Sweet 45.98%
    Amber 45.48%
    Spicy 36.85%
    Cedar 36.54%
    Sandalwood 31.6%
    Balsamic 30.04%
    Musk 29.14%
    Fatty 28.23%

     

    Flavor
    Woody 58.45%
    Sweet 55.36%
    Dry 45.33%
    Camphor 44.37%
    Pine 37.64%
    Earthy 33.24%
    Wood 31.03%
    Fresh 30.84%
    Fir needle 29.32%
    Balsam 28.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    9.82 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    263°C

    Flash point

    • 105.08 ˚C est.

  • Synonyms

    • (+)-alpha-barbatene
    • CHEBI:61690
    • (1R,2R,6S,7R)-1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
    • 53060-59-6
    • (3aR,4R,8R,8aS)-3a,4,7,8a-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-4,8-methanoazulene
    • (+)-.alpha.-Barbatene
    • (1R,2R,6S,7R)-1,2,6,8-tetramethyltricyclo(5.3.1.02,6)undec-8-ene
    • (+)-a-Barbatene
    • RefChem:67245
    • alpha-Barbatene
    • Q27131291
    • 53060-59-6

  • Applications

    (+)-alpha-Barbatene (CAS 53060-59-6) is primarily used as an odorant/fragrance ingredient in perfumery and can be present in personal care products to add aroma; it is also used as a fragrance additive in household cleaning and domestic products; in coatings and paints, it may be incorporated as a fragrance component; in polymers and plastics, it can serve as an odorant additive to impart scent characteristics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 157.0
    methanol 143.69
    isopropanol 161.69
    water 2.04
    ethyl acetate 385.03
    n-propanol 176.86
    acetone 417.69
    n-butanol 189.68
    acetonitrile 283.04
    DMF 519.09
    toluene 554.66
    isobutanol 150.72
    1,4-dioxane 765.68
    methyl acetate 328.47
    THF 1148.57
    2-butanone 357.21
    n-pentanol 111.47
    sec-butanol 133.21
    n-hexane 76.25
    ethylene glycol 40.16
    NMP 415.93
    cyclohexane 149.29
    DMSO 201.02
    n-butyl acetate 360.07
    n-octanol 131.93
    chloroform 803.99
    n-propyl acetate 217.33
    acetic acid 110.38
    dichloromethane 656.94
    cyclohexanone 587.76
    propylene glycol 48.57
    isopropyl acetate 358.93
    DMAc 382.72
    2-ethoxyethanol 173.81
    isopentanol 175.28
    n-heptane 92.88
    ethyl formate 182.21
    1,2-dichloroethane 460.73
    n-hexanol 247.3
    2-methoxyethanol 293.52
    isobutyl acetate 212.58
    tetrachloromethane 262.1
    n-pentyl acetate 238.67
    transcutol 501.63
    n-heptanol 156.89
    ethylbenzene 262.89
    MIBK 316.66
    2-propoxyethanol 407.96
    tert-butanol 207.38
    MTBE 338.22
    2-butoxyethanol 267.39
    propionic acid 134.51
    o-xylene 333.61
    formic acid 39.33
    diethyl ether 413.57
    m-xylene 435.07
    p-xylene 340.13
    chlorobenzene 439.13
    dimethyl carbonate 242.55
    n-octane 43.03
    formamide 85.52
    cyclopentanone 740.99
    2-pentanone 366.48
    anisole 426.59
    cyclopentyl methyl ether 588.41
    gamma-butyrolactone 599.63
    1-methoxy-2-propanol 302.02
    pyridine 556.97
    3-pentanone 338.38
    furfural 490.51
    n-dodecane 29.16
    diethylene glycol 211.71
    diisopropyl ether 227.14
    tert-amyl alcohol 158.43
    acetylacetone 503.5
    n-hexadecane 35.19
    acetophenone 320.22
    methyl propionate 328.81
    isopentyl acetate 375.81
    trichloroethylene 727.36
    n-nonanol 133.39
    cyclohexanol 219.51
    benzyl alcohol 198.57
    2-ethylhexanol 183.39
    isooctanol 141.56
    dipropyl ether 352.4
    1,2-dichlorobenzene 432.6
    ethyl lactate 118.97
    propylene carbonate 341.2
    n-methylformamide 206.09
    2-pentanol 152.95
    n-pentane 85.38
    1-propoxy-2-propanol 308.49
    1-methoxy-2-propyl acetate 468.22
    2-(2-methoxypropoxy) propanol 231.86
    mesitylene 326.09
    ε-caprolactone 449.57
    p-cymene 210.82
    epichlorohydrin 652.66
    1,1,1-trichloroethane 568.89
    2-aminoethanol 78.38
    morpholine-4-carbaldehyde 553.64
    sulfolane 498.54
    2,2,4-trimethylpentane 51.43
    2-methyltetrahydrofuran 603.44
    n-hexyl acetate 298.72
    isooctane 60.04
    2-(2-butoxyethoxy)ethanol 275.44
    sec-butyl acetate 211.05
    tert-butyl acetate 424.34
    decalin 91.57
    glycerin 78.15
    diglyme 581.41
    acrylic acid 113.31
    isopropyl myristate 175.9
    n-butyric acid 212.78
    acetyl acetate 320.64
    di(2-ethylhexyl) phthalate 134.63
    ethyl propionate 261.73
    nitromethane 289.47
    1,2-diethoxyethane 337.78
    benzonitrile 323.97
    trioctyl phosphate 112.17
    1-bromopropane 337.75
    gamma-valerolactone 781.47
    n-decanol 103.46
    triethyl phosphate 166.11
    4-methyl-2-pentanol 137.29
    propionitrile 312.7
    vinylene carbonate 343.52
    1,1,2-trichlorotrifluoroethane 299.56
    DMS 321.73
    cumene 194.51
    2-octanol 111.17
    2-hexanone 229.92
    octyl acetate 181.88
    limonene 242.59
    1,2-dimethoxyethane 434.04
    ethyl orthosilicate 174.09
    tributyl phosphate 124.35
    diacetone alcohol 283.1
    N,N-dimethylaniline 288.91
    acrylonitrile 325.06
    aniline 340.56
    1,3-propanediol 135.92
    bromobenzene 530.08
    dibromomethane 466.0
    1,1,2,2-tetrachloroethane 563.97
    2-methyl-cyclohexyl acetate 257.16
    tetrabutyl urea 157.05
    diisobutyl methanol 152.17
    2-phenylethanol 302.73
    styrene 295.12
    dioctyl adipate 192.63
    dimethyl sulfate 291.05
    ethyl butyrate 289.96
    methyl lactate 157.75
    butyl lactate 159.25
    diethyl carbonate 200.64
    propanediol butyl ether 152.57
    triethyl orthoformate 246.52
    p-tert-butyltoluene 228.3
    methyl 4-tert-butylbenzoate 341.14
    morpholine 623.45
    tert-butylamine 178.28
    n-dodecanol 82.34
    dimethoxymethane 566.15
    ethylene carbonate 319.33
    cyrene 207.76
    2-ethoxyethyl acetate 317.96
    2-ethylhexyl acetate 327.9
    1,2,4-trichlorobenzene 449.97
    4-methylpyridine 573.7
    dibutyl ether 211.79
    2,6-dimethyl-4-heptanol 152.17
    DEF 347.92
    dimethyl isosorbide 459.67
    tetrachloroethylene 420.38
    eugenol 275.05
    triacetin 293.89
    span 80 194.07
    1,4-butanediol 50.57
    1,1-dichloroethane 458.05
    2-methyl-1-pentanol 112.34
    methyl formate 175.57
    2-methyl-1-butanol 151.26
    n-decane 50.85
    butyronitrile 301.12
    3,7-dimethyl-1-octanol 152.54
    1-chlorooctane 139.07
    1-chlorotetradecane 69.05
    n-nonane 46.94
    undecane 37.54
    tert-butylcyclohexane 84.92
    cyclooctane 89.96
    cyclopentanol 224.48
    tetrahydropyran 654.43
    tert-amyl methyl ether 246.11
    2,5,8-trioxanonane 375.28
    1-hexene 158.18
    2-isopropoxyethanol 153.5
    2,2,2-trifluoroethanol 89.99
    methyl butyrate 265.62

    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