1-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C21H32O

    SMILES
    CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCCC4)C)C

  • Odor profile

    Woody 83.71%
    Amber 53.01%
    Dry 47.24%
    Musk 46.44%
    Cedar 44.63%
    Sandalwood 42.56%
    Sweet 41.78%
    Floral 41.37%
    Powdery 36.87%
    Orris 36.87%

    Scent© AI

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    7.74 (neutral)

    Molecular weight
    300.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    420°C

    Flash point est.
    190.32 ˚C

  • Synonyms

    • SCHEMBL22918344

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.99
    methanol 99.39
    isopropanol 144.75
    water 0.44
    ethyl acetate 250.34
    n-propanol 181.78
    acetone 356.64
    n-butanol 213.19
    acetonitrile 188.51
    DMF 247.04
    toluene 956.74
    isobutanol 130.07
    1,4-dioxane 661.73
    methyl acetate 144.48
    THF 891.62
    2-butanone 233.08
    n-pentanol 56.15
    sec-butanol 61.34
    n-hexane 8.51
    ethylene glycol 9.12
    NMP 132.9
    cyclohexane 84.0
    DMSO 63.53
    n-butyl acetate 159.41
    n-octanol 25.3
    chloroform 823.95
    n-propyl acetate 97.22
    acetic acid 64.25
    dichloromethane 568.0
    cyclohexanone 481.42
    propylene glycol 13.67
    isopropyl acetate 243.56
    DMAc 151.51
    2-ethoxyethanol 82.54
    isopentanol 169.4
    n-heptane 10.76
    ethyl formate 86.23
    1,2-dichloroethane 369.96
    n-hexanol 101.26
    2-methoxyethanol 209.92
    isobutyl acetate 97.84
    tetrachloromethane 103.24
    n-pentyl acetate 101.9
    transcutol 510.1
    n-heptanol 48.01
    ethylbenzene 130.78
    MIBK 211.22
    2-propoxyethanol 226.18
    tert-butanol 116.28
    MTBE 133.69
    2-butoxyethanol 112.92
    propionic acid 61.38
    o-xylene 267.53
    formic acid 17.98
    diethyl ether 324.28
    m-xylene 438.94
    p-xylene 150.95
    chlorobenzene 401.22
    dimethyl carbonate 93.73
    n-octane 3.2
    formamide 40.53
    cyclopentanone 417.79
    2-pentanone 303.53
    anisole 213.61
    cyclopentyl methyl ether 373.56
    gamma-butyrolactone 293.99
    1-methoxy-2-propanol 199.64
    pyridine 652.6
    3-pentanone 201.22
    furfural 266.98
    n-dodecane 2.69
    diethylene glycol 107.0
    diisopropyl ether 91.98
    tert-amyl alcohol 44.24
    acetylacetone 311.64
    n-hexadecane 3.45
    acetophenone 150.64
    methyl propionate 176.34
    isopentyl acetate 182.99
    trichloroethylene 581.18
    n-nonanol 29.7
    cyclohexanol 173.86
    benzyl alcohol 124.41
    2-ethylhexanol 59.33
    isooctanol 45.1
    dipropyl ether 103.2
    1,2-dichlorobenzene 268.39
    ethyl lactate 45.16
    propylene carbonate 150.65
    n-methylformamide 96.91
    2-pentanol 95.74
    n-pentane 23.45
    1-propoxy-2-propanol 155.09
    1-methoxy-2-propyl acetate 268.56
    2-(2-methoxypropoxy) propanol 103.8
    mesitylene 198.14
    ε-caprolactone 285.49
    p-cymene 70.96
    epichlorohydrin 441.67
    1,1,1-trichloroethane 317.94
    2-aminoethanol 35.1
    morpholine-4-carbaldehyde 274.47
    sulfolane 165.94
    2,2,4-trimethylpentane 7.48
    2-methyltetrahydrofuran 350.38
    n-hexyl acetate 102.83
    isooctane 10.59
    2-(2-butoxyethoxy)ethanol 148.67
    sec-butyl acetate 100.0
    tert-butyl acetate 220.86
    decalin 18.16
    glycerin 28.25
    diglyme 324.69
    acrylic acid 48.08
    isopropyl myristate 49.48
    n-butyric acid 174.26
    acetyl acetate 174.43
    di(2-ethylhexyl) phthalate 55.45
    ethyl propionate 109.97
    nitromethane 135.53
    1,2-diethoxyethane 195.36
    benzonitrile 225.44
    trioctyl phosphate 33.8
    1-bromopropane 248.74
    gamma-valerolactone 563.89
    n-decanol 21.44
    triethyl phosphate 58.81
    4-methyl-2-pentanol 75.64
    propionitrile 250.06
    vinylene carbonate 176.45
    1,1,2-trichlorotrifluoroethane 146.27
    DMS 125.23
    cumene 70.42
    2-octanol 24.38
    2-hexanone 88.53
    octyl acetate 51.96
    limonene 78.14
    1,2-dimethoxyethane 215.67
    ethyl orthosilicate 62.92
    tributyl phosphate 41.23
    diacetone alcohol 149.56
    N,N-dimethylaniline 111.76
    acrylonitrile 220.16
    aniline 430.55
    1,3-propanediol 107.18
    bromobenzene 460.74
    dibromomethane 396.09
    1,1,2,2-tetrachloroethane 425.7
    2-methyl-cyclohexyl acetate 104.38
    tetrabutyl urea 53.5
    diisobutyl methanol 50.73
    2-phenylethanol 170.52
    styrene 165.97
    dioctyl adipate 69.96
    dimethyl sulfate 87.43
    ethyl butyrate 121.83
    methyl lactate 59.01
    butyl lactate 72.34
    diethyl carbonate 80.62
    propanediol butyl ether 64.63
    triethyl orthoformate 101.72
    p-tert-butyltoluene 70.0
    methyl 4-tert-butylbenzoate 128.55
    morpholine 596.97
    tert-butylamine 88.76
    n-dodecanol 16.24
    dimethoxymethane 381.8
    ethylene carbonate 166.61
    cyrene 95.58
    2-ethoxyethyl acetate 183.34
    2-ethylhexyl acetate 136.64
    1,2,4-trichlorobenzene 277.0
    4-methylpyridine 631.91
    dibutyl ether 51.32
    2,6-dimethyl-4-heptanol 50.73
    DEF 176.51
    dimethyl isosorbide 206.03
    tetrachloroethylene 278.07
    eugenol 119.89
    triacetin 127.93
    span 80 80.35
    1,4-butanediol 20.15
    1,1-dichloroethane 357.18
    2-methyl-1-pentanol 54.27
    methyl formate 63.99
    2-methyl-1-butanol 110.62
    n-decane 5.12
    butyronitrile 261.89
    3,7-dimethyl-1-octanol 42.09
    1-chlorooctane 24.41
    1-chlorotetradecane 10.37
    n-nonane 4.1
    undecane 3.58
    tert-butylcyclohexane 12.36
    cyclooctane 22.57
    cyclopentanol 120.64
    tetrahydropyran 702.42
    tert-amyl methyl ether 69.29
    2,5,8-trioxanonane 181.08
    1-hexene 35.78
    2-isopropoxyethanol 67.13
    2,2,2-trifluoroethanol 31.09
    methyl butyrate 113.4

    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