Celestolide

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  • Identifiers

    CAS number
    13171-00-1

    Molecular formula
    C17H24O

    SMILES
    CC(=O)C1=C2CCC(C2=CC(=C1)C(C)(C)C)(C)C

  • Odor profile

    Musk 78.35%
    Woody 64.2%
    Amber 57.18%
    Dry 51.05%
    Powdery 50.8%
    Sweet 49.88%
    Floral 39.1%
    Orris 36.53%
    Animal 36.03%
    Vetiver 30.21%

    Scent© AI

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.85 (neutral)

    Molecular weight
    244.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 78.5 °C
    • 77.2 - 77.9 °C

    Boiling point

    • BP: 304.5 °C at 101.325 kPa

    Flash point est.
    129.53 ˚C

    Solubility expt.

    • In water, 0.015 mg/L
    • In water, 3.29 mg/L at 24 °C
    • Insoluble in water
    • Soluble in oils and ethanol
    • insoluble in water, soluble in oils
    • soluble (in ethanol)

  • Synonyms

    • CELESTOLIDE
    • 13171-00-1
    • 4-Acetyl-6-tert-butyl-1,1-dimethylindan
    • 1-(6-(tert-Butyl)-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone
    • 4-Acetyl-6-tert-butyl-1,1-dimethylindane
    • Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-
    • 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethanone
    • musk dimethyl indane
    • acetyl tert-butyl dimethylindan
    • Chrysolide
    • FEMA No. 3653
    • Esperone
    • Musk celestolide
    • 6-tert-Butyl-1,1-dimethylindan-4-yl methyl ketone
    • EINECS 236-114-4
    • UNII-E1HM68Q21P
    • 4-Acetyl-6-butyl-1,1-dimethylindane
    • CRYSOLIDE
    • CCRIS 8404
    • 6-tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone
    • DTXSID9044536
    • AI3-28573
    • Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl
    • Ethanone, 1-(6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)-
    • 4-Acetyl-6-tert-butyl-1,1-dimethyl indan
    • E1HM68Q21P
    • DTXCID7024536
    • FEMA 3653
    • HSDB 8415
    • 1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone
    • 1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethan-1-one
    • ACETYL-6-TERT-BUTYL-1,1-DIMETHYLINDANE, 4-
    • Indane, 4-acetyl-1,1-dimethyl-6-(1,1-dimethylethyl)
    • 4-ACETYL-6-TERT-BUTYL-1,1-DIMETHYLINDANE [FHFI]
    • 6-Tert-Butyl-1,1-dimethyl-4-indanyl methyl ketone, 8CI
    • 1-[6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]ethanone, 9CI
    • C17H24O
    • 1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone, 9CI
    • 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-ethanone;
    • ADBI
    • 1-(6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl)ethanone
    • SCHEMBL112943
    • CHEMBL3188960
    • CHEBI:172483
    • ADBI 10 microg/mL in Cyclohexane
    • Tox21_301542
    • BBL009811
    • CCG-50538
    • MFCD00046324
    • STK709219
    • AKOS001014891
    • FC19887
    • PS-7533
    • 4-acetyl-1,1-dimethyl-6-t-butylindane
    • 4-acetyl-6-t-butyl-1,1-dimethylindane
    • NCGC00255757-01
    • CAS-13171-00-1
    • A2209
    • CS-0155127
    • NS00001394
    • 4-Acetyl-6-(tert-butyl)-1,1,-dimethylindane
    • D70472
    • EN300-6503878
    • A806300
    • SR-01000639907-1
    • 1-(6-tert-butyl-1,1-dimethyl-indan-4-yl)-ethanone
    • Q27276748
    • Z56807661
    • 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-ethanone;4-Acetyl-1,1-dimethyl-6-tert-butylindan

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 154.64
    methanol 117.68
    isopropanol 157.59
    water 0.82
    ethyl acetate 282.27
    n-propanol 173.71
    acetone 346.01
    n-butanol 155.75
    acetonitrile 234.38
    DMF 691.68
    toluene 368.27
    isobutanol 149.46
    1,4-dioxane 573.64
    methyl acetate 342.97
    THF 830.92
    2-butanone 393.3
    n-pentanol 137.48
    sec-butanol 165.18
    n-hexane 34.3
    ethylene glycol 35.87
    NMP 564.67
    cyclohexane 68.27
    DMSO 207.99
    n-butyl acetate 308.56
    n-octanol 128.13
    chloroform 964.16
    n-propyl acetate 228.68
    acetic acid 130.57
    dichloromethane 721.31
    cyclohexanone 569.08
    propylene glycol 93.63
    isopropyl acetate 206.9
    DMAc 567.89
    2-ethoxyethanol 154.62
    isopentanol 142.44
    n-heptane 36.7
    ethyl formate 214.6
    1,2-dichloroethane 361.72
    n-hexanol 217.02
    2-methoxyethanol 240.15
    isobutyl acetate 204.73
    tetrachloromethane 132.51
    n-pentyl acetate 200.2
    transcutol 336.63
    n-heptanol 137.9
    ethylbenzene 236.46
    MIBK 188.0
    2-propoxyethanol 316.05
    tert-butanol 194.87
    MTBE 215.93
    2-butoxyethanol 213.27
    propionic acid 159.15
    o-xylene 227.68
    formic acid 38.36
    diethyl ether 161.6
    m-xylene 253.5
    p-xylene 369.77
    chlorobenzene 393.35
    dimethyl carbonate 171.95
    n-octane 22.94
    formamide 94.86
    cyclopentanone 680.81
    2-pentanone 267.95
    anisole 357.68
    cyclopentyl methyl ether 301.97
    gamma-butyrolactone 618.18
    1-methoxy-2-propanol 249.58
    pyridine 620.79
    3-pentanone 241.95
    furfural 546.63
    n-dodecane 22.69
    diethylene glycol 170.44
    diisopropyl ether 75.76
    tert-amyl alcohol 178.03
    acetylacetone 338.9
    n-hexadecane 26.28
    acetophenone 339.35
    methyl propionate 286.56
    isopentyl acetate 299.58
    trichloroethylene 807.41
    n-nonanol 128.85
    cyclohexanol 190.38
    benzyl alcohol 274.6
    2-ethylhexanol 177.76
    isooctanol 117.75
    dipropyl ether 164.77
    1,2-dichlorobenzene 329.33
    ethyl lactate 140.87
    propylene carbonate 438.1
    n-methylformamide 229.12
    2-pentanol 118.07
    n-pentane 29.25
    1-propoxy-2-propanol 272.44
    1-methoxy-2-propyl acetate 318.2
    2-(2-methoxypropoxy) propanol 228.53
    mesitylene 148.44
    ε-caprolactone 459.02
    p-cymene 151.99
    epichlorohydrin 602.95
    1,1,1-trichloroethane 456.01
    2-aminoethanol 87.57
    morpholine-4-carbaldehyde 628.02
    sulfolane 467.04
    2,2,4-trimethylpentane 24.04
    2-methyltetrahydrofuran 498.27
    n-hexyl acetate 261.11
    isooctane 17.8
    2-(2-butoxyethoxy)ethanol 234.25
    sec-butyl acetate 184.03
    tert-butyl acetate 216.99
    decalin 55.88
    glycerin 93.07
    diglyme 384.96
    acrylic acid 138.48
    isopropyl myristate 140.22
    n-butyric acid 218.28
    acetyl acetate 214.98
    di(2-ethylhexyl) phthalate 159.14
    ethyl propionate 214.11
    nitromethane 296.5
    1,2-diethoxyethane 202.79
    benzonitrile 368.28
    trioctyl phosphate 110.53
    1-bromopropane 249.5
    gamma-valerolactone 823.66
    n-decanol 108.05
    triethyl phosphate 134.55
    4-methyl-2-pentanol 92.05
    propionitrile 240.34
    vinylene carbonate 422.05
    1,1,2-trichlorotrifluoroethane 353.46
    DMS 267.96
    cumene 161.91
    2-octanol 108.22
    2-hexanone 249.35
    octyl acetate 177.48
    limonene 167.37
    1,2-dimethoxyethane 348.07
    ethyl orthosilicate 126.29
    tributyl phosphate 120.24
    diacetone alcohol 230.21
    N,N-dimethylaniline 279.84
    acrylonitrile 295.2
    aniline 304.51
    1,3-propanediol 120.18
    bromobenzene 435.57
    dibromomethane 472.52
    1,1,2,2-tetrachloroethane 602.98
    2-methyl-cyclohexyl acetate 268.03
    tetrabutyl urea 171.88
    diisobutyl methanol 96.21
    2-phenylethanol 330.42
    styrene 264.2
    dioctyl adipate 209.98
    dimethyl sulfate 211.56
    ethyl butyrate 231.2
    methyl lactate 159.87
    butyl lactate 180.29
    diethyl carbonate 180.94
    propanediol butyl ether 195.87
    triethyl orthoformate 173.49
    p-tert-butyltoluene 152.62
    methyl 4-tert-butylbenzoate 261.6
    morpholine 598.92
    tert-butylamine 140.65
    n-dodecanol 89.1
    dimethoxymethane 335.81
    ethylene carbonate 317.48
    cyrene 288.2
    2-ethoxyethyl acetate 245.65
    2-ethylhexyl acetate 265.85
    1,2,4-trichlorobenzene 405.72
    4-methylpyridine 664.53
    dibutyl ether 141.69
    2,6-dimethyl-4-heptanol 96.21
    DEF 292.39
    dimethyl isosorbide 435.5
    tetrachloroethylene 314.56
    eugenol 267.11
    triacetin 255.02
    span 80 244.32
    1,4-butanediol 67.88
    1,1-dichloroethane 423.77
    2-methyl-1-pentanol 145.04
    methyl formate 199.72
    2-methyl-1-butanol 143.68
    n-decane 33.39
    butyronitrile 235.26
    3,7-dimethyl-1-octanol 136.42
    1-chlorooctane 107.65
    1-chlorotetradecane 59.63
    n-nonane 30.41
    undecane 26.59
    tert-butylcyclohexane 49.29
    cyclooctane 27.66
    cyclopentanol 231.28
    tetrahydropyran 499.97
    tert-amyl methyl ether 172.4
    2,5,8-trioxanonane 305.48
    1-hexene 117.94
    2-isopropoxyethanol 144.12
    2,2,2-trifluoroethanol 70.75
    methyl butyrate 275.28

    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