Ent-atiserene

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  • Identifiers

    CAS number
    20230-48-2

    Molecular formula
    C20H32

    SMILES
    C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2C[C@H](CC3)C(=C)C4)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.67%
    Dry 52.41%
    Amber 50.05%
    Sweet 46.28%
    Cedar 40.82%
    Musk 35.91%
    Spicy 35.29%
    Green 35.21%
    Camphoreous 32.06%
    Fresh 30.24%

     

    Flavor
    Woody 49.15%
    Sweet 43.96%
    Dry 40.06%
    Wood 39.45%
    Camphor 30.63%
    Fir needle 29.65%
    Pine 28.84%
    Spice 27.28%
    Earthy 26.88%
    Fresh 26.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    10.24 (weak base)

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    366°C

    Flash point

    • 161.12 ˚C est.

  • Synonyms

    • ent-atiserene
    • (-)-Atisirene
    • 20230-48-2
    • ent-atiser-16-ene
    • (5beta,8alpha,9beta,10alpha,12alpha)-atis-16-ene
    • SCHEMBL30017220
    • CHEBI:138219
    • DTXSID401318620
    • C21711
    • 5beta,8alpha,9beta,10alpha,12alpha-Atis-16-ene
    • 20230-48-2

  • Applications

    Ent-atiserene (CAS 20230-48-2) is a sesquiterpene primarily evaluated as a fragrance ingredient and may be used as an aroma component in cosmetics and personal care; it may be considered as a flavor/aroma ingredient in food processing; it can serve as an intermediate in the synthesis of other fragrance compounds; and it is sometimes evaluated for use in household products and cleaning formulations to impart fragrance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 86.11
    methanol 36.95
    isopropanol 98.64
    water 0.1
    ethyl acetate 292.01
    n-propanol 120.99
    acetone 236.45
    n-butanol 170.3
    acetonitrile 91.75
    DMF 230.12
    toluene 751.09
    isobutanol 109.78
    1,4-dioxane 572.98
    methyl acetate 161.56
    THF 1362.7
    2-butanone 248.71
    n-pentanol 66.93
    sec-butanol 71.65
    n-hexane 36.16
    ethylene glycol 4.61
    NMP 254.14
    cyclohexane 148.96
    DMSO 64.28
    n-butyl acetate 365.39
    n-octanol 75.07
    chloroform 475.95
    n-propyl acetate 139.12
    acetic acid 44.23
    dichloromethane 366.11
    cyclohexanone 548.47
    propylene glycol 10.63
    isopropyl acetate 314.96
    DMAc 193.33
    2-ethoxyethanol 67.37
    isopentanol 172.91
    n-heptane 65.21
    ethyl formate 88.99
    1,2-dichloroethane 268.19
    n-hexanol 199.49
    2-methoxyethanol 130.16
    isobutyl acetate 160.58
    tetrachloromethane 107.29
    n-pentyl acetate 208.87
    transcutol 504.21
    n-heptanol 100.57
    ethylbenzene 167.89
    MIBK 295.94
    2-propoxyethanol 262.68
    tert-butanol 114.58
    MTBE 260.11
    2-butoxyethanol 151.23
    propionic acid 59.16
    o-xylene 265.92
    formic acid 7.99
    diethyl ether 412.11
    m-xylene 459.14
    p-xylene 190.79
    chlorobenzene 360.07
    dimethyl carbonate 117.21
    n-octane 17.5
    formamide 16.46
    cyclopentanone 589.7
    2-pentanone 350.5
    anisole 247.54
    cyclopentyl methyl ether 654.9
    gamma-butyrolactone 458.59
    1-methoxy-2-propanol 168.35
    pyridine 535.4
    3-pentanone 259.69
    furfural 290.36
    n-dodecane 10.76
    diethylene glycol 78.45
    diisopropyl ether 197.18
    tert-amyl alcohol 75.04
    acetylacetone 347.0
    n-hexadecane 13.54
    acetophenone 184.25
    methyl propionate 225.77
    isopentyl acetate 399.07
    trichloroethylene 452.67
    n-nonanol 79.71
    cyclohexanol 192.39
    benzyl alcohol 115.04
    2-ethylhexanol 155.12
    isooctanol 93.73
    dipropyl ether 373.12
    1,2-dichlorobenzene 267.36
    ethyl lactate 53.49
    propylene carbonate 244.04
    n-methylformamide 67.45
    2-pentanol 116.53
    n-pentane 65.97
    1-propoxy-2-propanol 266.71
    1-methoxy-2-propyl acetate 423.96
    2-(2-methoxypropoxy) propanol 152.29
    mesitylene 272.96
    ε-caprolactone 412.58
    p-cymene 159.48
    epichlorohydrin 449.94
    1,1,1-trichloroethane 283.79
    2-aminoethanol 18.2
    morpholine-4-carbaldehyde 325.98
    sulfolane 272.68
    2,2,4-trimethylpentane 26.68
    2-methyltetrahydrofuran 620.73
    n-hexyl acetate 253.63
    isooctane 34.65
    2-(2-butoxyethoxy)ethanol 204.86
    sec-butyl acetate 147.73
    tert-butyl acetate 353.73
    decalin 47.16
    glycerin 18.15
    diglyme 415.12
    acrylic acid 42.01
    isopropyl myristate 119.08
    n-butyric acid 168.19
    acetyl acetate 192.25
    di(2-ethylhexyl) phthalate 94.61
    ethyl propionate 159.64
    nitromethane 88.31
    1,2-diethoxyethane 332.17
    benzonitrile 194.56
    trioctyl phosphate 73.44
    1-bromopropane 274.86
    gamma-valerolactone 635.1
    n-decanol 57.66
    triethyl phosphate 111.13
    4-methyl-2-pentanol 107.81
    propionitrile 160.36
    vinylene carbonate 222.47
    1,1,2-trichlorotrifluoroethane 138.0
    DMS 182.95
    cumene 108.11
    2-octanol 62.92
    2-hexanone 145.21
    octyl acetate 124.46
    limonene 206.0
    1,2-dimethoxyethane 240.17
    ethyl orthosilicate 122.06
    tributyl phosphate 84.17
    diacetone alcohol 203.88
    N,N-dimethylaniline 164.44
    acrylonitrile 127.28
    aniline 312.32
    1,3-propanediol 61.99
    bromobenzene 468.51
    dibromomethane 292.29
    1,1,2,2-tetrachloroethane 334.03
    2-methyl-cyclohexyl acetate 211.17
    tetrabutyl urea 104.83
    diisobutyl methanol 126.52
    2-phenylethanol 207.18
    styrene 202.06
    dioctyl adipate 137.43
    dimethyl sulfate 108.85
    ethyl butyrate 262.56
    methyl lactate 64.77
    butyl lactate 120.44
    diethyl carbonate 146.64
    propanediol butyl ether 82.99
    triethyl orthoformate 218.63
    p-tert-butyltoluene 173.56
    methyl 4-tert-butylbenzoate 219.12
    morpholine 535.15
    tert-butylamine 112.47
    n-dodecanol 43.62
    dimethoxymethane 396.22
    ethylene carbonate 216.07
    cyrene 125.91
    2-ethoxyethyl acetate 271.5
    2-ethylhexyl acetate 326.97
    1,2,4-trichlorobenzene 288.31
    4-methylpyridine 563.0
    dibutyl ether 173.75
    2,6-dimethyl-4-heptanol 126.52
    DEF 271.08
    dimethyl isosorbide 370.29
    tetrachloroethylene 210.47
    eugenol 153.0
    triacetin 193.87
    span 80 135.55
    1,4-butanediol 13.68
    1,1-dichloroethane 267.96
    2-methyl-1-pentanol 72.73
    methyl formate 56.08
    2-methyl-1-butanol 130.83
    n-decane 22.94
    butyronitrile 205.56
    3,7-dimethyl-1-octanol 103.75
    1-chlorooctane 87.36
    1-chlorotetradecane 33.29
    n-nonane 20.1
    undecane 15.15
    tert-butylcyclohexane 39.44
    cyclooctane 63.03
    cyclopentanol 149.81
    tetrahydropyran 822.36
    tert-amyl methyl ether 178.47
    2,5,8-trioxanonane 248.47
    1-hexene 96.64
    2-isopropoxyethanol 72.1
    2,2,2-trifluoroethanol 22.32
    methyl butyrate 170.2

    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