beta-Atlantone

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  • Identifiers

    CAS number
    38331-79-2

    Molecular formula
    C15H22O

    SMILES
    CC1=CC[C@@H](CC1)C(=C)CC(=O)C=C(C)C

  • Odor profile

    Fruity 83.73%
    Floral 72.17%
    Sweet 62.46%
    Woody 59.25%
    Rose 54.36%
    Green 49.29%
    Citrus 46.67%
    Herbal 43.94%
    Fresh 41.63%
    Mint 39.31%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point est.
    124.69 ˚C

  • Synonyms

    • beta-Atlantone
    • (+)-beta-Atlantone
    • Atlantone, beta-
    • 38331-79-2
    • 4PD4ATF42Y
    • 1,5-Heptadien-4-one, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (R)-
    • UNII-4PD4ATF42Y
    • SCHEMBL8914923
    • DTXSID20959243
    • Q67879712
    • 1,5-Heptadien-4-one, 6-methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-
    • 6-METHYL-2-(4-METHYLCYCLOHEX-3-EN-1-YL)HEPTA-1,5-DIEN-4-ONE
    • 6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-1,5-heptadien-4-one

  • Applications

    beta-Atlantone (CAS 38331-79-2) is a woody, dry, warm, slightly ambery sesquiterpene ketone used broadly as a fragrance ingredient in fine perfumery, personal care, household cleaners, fabric softeners, soaps, and candles; it boosts cedar/woody facets, improves diffusion and longevity, acts as a fixative for amber, resinous, tobacco and musky notes, and helps mask off-odors in surfactant-heavy bases; it suits chypre, fougere, woody-amber and oriental architectures and blends well with cedarwood, vetiver, patchouli, Iso E Super and Cashmeran; valued for high substantivity on fabric and hair, it is favored for long-lasting and wash-resistant formulations; it is also used as an analytical reference/marker in cedarwood oil quality control and in studies of sesquiterpene biotransformation, structure-odor relationships, and delivery systems (e.g., microencapsulation, cyclodextrin inclusion).

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1728.36
    methanol 1202.14
    isopropanol 1547.6
    water 0.24
    ethyl acetate 1225.35
    n-propanol 1217.94
    acetone 1244.94
    n-butanol 1252.91
    acetonitrile 861.7
    DMF 1019.99
    toluene 708.18
    isobutanol 857.98
    1,4-dioxane 2523.5
    methyl acetate 756.34
    THF 2669.35
    2-butanone 989.73
    n-pentanol 667.26
    sec-butanol 1014.9
    n-hexane 162.59
    ethylene glycol 81.07
    NMP 630.77
    cyclohexane 294.44
    DMSO 639.36
    n-butyl acetate 899.34
    n-octanol 277.45
    chloroform 2284.52
    n-propyl acetate 545.27
    acetic acid 621.72
    dichloromethane 1549.46
    cyclohexanone 1262.69
    propylene glycol 273.4
    isopropyl acetate 784.68
    DMAc 787.62
    2-ethoxyethanol 653.75
    isopentanol 1034.14
    n-heptane 91.99
    ethyl formate 503.66
    1,2-dichloroethane 1061.61
    n-hexanol 1026.77
    2-methoxyethanol 1313.54
    isobutyl acetate 373.81
    tetrachloromethane 246.27
    n-pentyl acetate 375.52
    transcutol 3292.93
    n-heptanol 298.35
    ethylbenzene 298.35
    MIBK 604.89
    2-propoxyethanol 1242.24
    tert-butanol 1539.5
    MTBE 1311.92
    2-butoxyethanol 521.28
    propionic acid 458.09
    o-xylene 320.45
    formic acid 130.21
    diethyl ether 1543.72
    m-xylene 459.71
    p-xylene 342.72
    chlorobenzene 651.99
    dimethyl carbonate 226.06
    n-octane 29.48
    formamide 211.23
    cyclopentanone 1124.28
    2-pentanone 947.26
    anisole 560.89
    cyclopentyl methyl ether 1095.79
    gamma-butyrolactone 988.83
    1-methoxy-2-propanol 1204.05
    pyridine 1212.46
    3-pentanone 549.99
    furfural 819.84
    n-dodecane 22.8
    diethylene glycol 589.61
    diisopropyl ether 403.06
    tert-amyl alcohol 934.63
    acetylacetone 794.77
    n-hexadecane 27.1
    acetophenone 389.2
    methyl propionate 623.73
    isopentyl acetate 782.2
    trichloroethylene 1804.04
    n-nonanol 246.96
    cyclohexanol 966.49
    benzyl alcohol 432.87
    2-ethylhexanol 458.26
    isooctanol 234.37
    dipropyl ether 632.43
    1,2-dichlorobenzene 483.01
    ethyl lactate 221.77
    propylene carbonate 624.34
    n-methylformamide 407.68
    2-pentanol 891.88
    n-pentane 152.45
    1-propoxy-2-propanol 1012.6
    1-methoxy-2-propyl acetate 894.64
    2-(2-methoxypropoxy) propanol 549.15
    mesitylene 262.78
    ε-caprolactone 996.12
    p-cymene 181.06
    epichlorohydrin 1522.56
    1,1,1-trichloroethane 1044.67
    2-aminoethanol 320.84
    morpholine-4-carbaldehyde 1026.5
    sulfolane 664.61
    2,2,4-trimethylpentane 64.45
    2-methyltetrahydrofuran 1856.1
    n-hexyl acetate 587.28
    isooctane 64.98
    2-(2-butoxyethoxy)ethanol 871.63
    sec-butyl acetate 433.21
    tert-butyl acetate 756.03
    decalin 100.13
    glycerin 280.88
    diglyme 1409.01
    acrylic acid 272.38
    isopropyl myristate 225.4
    n-butyric acid 1055.8
    acetyl acetate 583.27
    di(2-ethylhexyl) phthalate 201.34
    ethyl propionate 460.22
    nitromethane 767.78
    1,2-diethoxyethane 1180.99
    benzonitrile 567.29
    trioctyl phosphate 139.54
    1-bromopropane 769.29
    gamma-valerolactone 1455.94
    n-decanol 183.01
    triethyl phosphate 198.22
    4-methyl-2-pentanol 461.48
    propionitrile 661.06
    vinylene carbonate 518.63
    1,1,2-trichlorotrifluoroethane 730.22
    DMS 393.85
    cumene 199.77
    2-octanol 200.94
    2-hexanone 571.68
    octyl acetate 275.71
    limonene 296.29
    1,2-dimethoxyethane 1234.78
    ethyl orthosilicate 210.98
    tributyl phosphate 191.92
    diacetone alcohol 741.45
    N,N-dimethylaniline 331.76
    acrylonitrile 539.15
    aniline 756.59
    1,3-propanediol 689.6
    bromobenzene 657.06
    dibromomethane 1099.58
    1,1,2,2-tetrachloroethane 1532.58
    2-methyl-cyclohexyl acetate 381.29
    tetrabutyl urea 222.9
    diisobutyl methanol 256.24
    2-phenylethanol 553.06
    styrene 357.37
    dioctyl adipate 299.3
    dimethyl sulfate 217.04
    ethyl butyrate 526.54
    methyl lactate 267.71
    butyl lactate 309.55
    diethyl carbonate 326.17
    propanediol butyl ether 519.82
    triethyl orthoformate 361.43
    p-tert-butyltoluene 185.2
    methyl 4-tert-butylbenzoate 349.7
    morpholine 2958.56
    tert-butylamine 1008.34
    n-dodecanol 139.06
    dimethoxymethane 936.04
    ethylene carbonate 511.81
    cyrene 343.94
    2-ethoxyethyl acetate 584.52
    2-ethylhexyl acetate 560.4
    1,2,4-trichlorobenzene 550.02
    4-methylpyridine 1278.06
    dibutyl ether 490.4
    2,6-dimethyl-4-heptanol 256.24
    DEF 735.28
    dimethyl isosorbide 820.42
    tetrachloroethylene 828.65
    eugenol 346.71
    triacetin 461.46
    span 80 494.24
    1,4-butanediol 175.22
    1,1-dichloroethane 1259.2
    2-methyl-1-pentanol 567.21
    methyl formate 286.43
    2-methyl-1-butanol 808.83
    n-decane 41.88
    butyronitrile 967.57
    3,7-dimethyl-1-octanol 345.33
    1-chlorooctane 189.53
    1-chlorotetradecane 76.81
    n-nonane 41.4
    undecane 29.54
    tert-butylcyclohexane 94.59
    cyclooctane 83.12
    cyclopentanol 713.68
    tetrahydropyran 2614.63
    tert-amyl methyl ether 702.67
    2,5,8-trioxanonane 860.57
    1-hexene 540.56
    2-isopropoxyethanol 481.53
    2,2,2-trifluoroethanol 139.01
    methyl butyrate 595.89

    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
Cedrus atlantica (Morocco) Cedrus atlantica Man., fam. Cupressaceae 0.5%