Eremophilone

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  • Identifiers

    CAS number
    562-23-2

    Molecular formula
    C15H22O

    SMILES
    C[C@H]1CCC=C2[C@@]1(C[C@@H](CC2=O)C(=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 65.55%
    Fruity 47.49%
    Mint 43.82%
    Spicy 43.13%
    Herbal 42.65%
    Citrus 40.4%
    Fresh 38.57%
    Sweet 36.61%
    Tobacco 35.59%
    Camphoreous 35.2%

     

    Flavor
    Herbal 46.96%
    Minty 45.87%
    Woody 32.76%
    Fresh 30.6%
    Spice 29.34%
    Camphor 27.39%
    Mint 27.15%
    Spicy 25.7%
    Herb 24.6%
    Spearmint 23.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.14 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 115.84 ˚C est.

  • Synonyms

    • Eremophilone
    • RefChem:137492
    • (3S,4aR,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one
    • 562-23-2
    • SCHEMBL408672
    • BSUGIIZTULADOL-YWPYICTPSA-N
    • 562-23-2

  • Applications

    Eremophilone (CAS 562-23-2) is a sesquiterpene ketone that is primarily encountered as an odorant/fragrance ingredient for perfumery. It is also evaluated as a chemical intermediate in organic synthesis and may be used in cosmetics and personal care formulations as a scent component. In household products such as cleaners and air fresheners, it can contribute fragrance profiles, subject to regulatory limits. In pharmaceutical research, it may be explored as a chiral building block, and in polymer/plastics formulations it can serve as a fragrance additive, again within regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 322.49
    methanol 249.21
    isopropanol 506.93
    water 0.54
    ethyl acetate 353.74
    n-propanol 391.16
    acetone 381.43
    n-butanol 403.51
    acetonitrile 299.45
    DMF 630.9
    toluene 666.29
    isobutanol 326.46
    1,4-dioxane 1160.55
    methyl acetate 373.1
    THF 1201.78
    2-butanone 498.27
    n-pentanol 188.09
    sec-butanol 324.84
    n-hexane 21.31
    ethylene glycol 38.95
    NMP 275.28
    cyclohexane 95.9
    DMSO 211.48
    n-butyl acetate 367.85
    n-octanol 151.29
    chloroform 1288.92
    n-propyl acetate 203.52
    acetic acid 123.37
    dichloromethane 841.2
    cyclohexanone 653.75
    propylene glycol 74.3
    isopropyl acetate 273.17
    DMAc 419.56
    2-ethoxyethanol 212.95
    isopentanol 355.54
    n-heptane 26.24
    ethyl formate 230.63
    1,2-dichloroethane 518.56
    n-hexanol 371.35
    2-methoxyethanol 435.41
    isobutyl acetate 175.17
    tetrachloromethane 171.76
    n-pentyl acetate 234.1
    transcutol 758.62
    n-heptanol 174.14
    ethylbenzene 254.06
    MIBK 262.93
    2-propoxyethanol 461.8
    tert-butanol 511.0
    MTBE 397.12
    2-butoxyethanol 264.76
    propionic acid 161.66
    o-xylene 328.02
    formic acid 35.73
    diethyl ether 382.72
    m-xylene 387.77
    p-xylene 322.2
    chlorobenzene 490.26
    dimethyl carbonate 136.92
    n-octane 15.09
    formamide 76.5
    cyclopentanone 624.9
    2-pentanone 368.43
    anisole 382.61
    cyclopentyl methyl ether 362.17
    gamma-butyrolactone 492.57
    1-methoxy-2-propanol 452.87
    pyridine 907.6
    3-pentanone 281.84
    furfural 480.94
    n-dodecane 13.42
    diethylene glycol 257.99
    diisopropyl ether 121.45
    tert-amyl alcohol 289.84
    acetylacetone 341.32
    n-hexadecane 16.06
    acetophenone 287.76
    methyl propionate 261.6
    isopentyl acetate 375.99
    trichloroethylene 930.52
    n-nonanol 137.86
    cyclohexanol 369.25
    benzyl alcohol 279.76
    2-ethylhexanol 203.1
    isooctanol 148.09
    dipropyl ether 174.74
    1,2-dichlorobenzene 365.99
    ethyl lactate 107.23
    propylene carbonate 304.23
    n-methylformamide 226.24
    2-pentanol 264.7
    n-pentane 35.19
    1-propoxy-2-propanol 388.86
    1-methoxy-2-propyl acetate 371.25
    2-(2-methoxypropoxy) propanol 233.86
    mesitylene 228.8
    ε-caprolactone 472.09
    p-cymene 149.1
    epichlorohydrin 712.68
    1,1,1-trichloroethane 554.34
    2-aminoethanol 115.15
    morpholine-4-carbaldehyde 486.72
    sulfolane 326.33
    2,2,4-trimethylpentane 21.09
    2-methyltetrahydrofuran 644.47
    n-hexyl acetate 295.23
    isooctane 24.43
    2-(2-butoxyethoxy)ethanol 338.11
    sec-butyl acetate 176.57
    tert-butyl acetate 291.92
    decalin 40.44
    glycerin 93.53
    diglyme 562.18
    acrylic acid 123.36
    isopropyl myristate 129.81
    n-butyric acid 304.71
    acetyl acetate 209.25
    di(2-ethylhexyl) phthalate 125.76
    ethyl propionate 193.48
    nitromethane 267.79
    1,2-diethoxyethane 362.47
    benzonitrile 443.27
    trioctyl phosphate 88.83
    1-bromopropane 368.23
    gamma-valerolactone 758.84
    n-decanol 103.2
    triethyl phosphate 107.24
    4-methyl-2-pentanol 188.66
    propionitrile 405.48
    vinylene carbonate 337.54
    1,1,2-trichlorotrifluoroethane 288.35
    DMS 240.12
    cumene 158.94
    2-octanol 130.57
    2-hexanone 231.38
    octyl acetate 151.65
    limonene 168.84
    1,2-dimethoxyethane 482.52
    ethyl orthosilicate 108.97
    tributyl phosphate 101.07
    diacetone alcohol 300.3
    N,N-dimethylaniline 226.27
    acrylonitrile 402.35
    aniline 469.28
    1,3-propanediol 246.44
    bromobenzene 524.24
    dibromomethane 573.08
    1,1,2,2-tetrachloroethane 742.85
    2-methyl-cyclohexyl acetate 197.58
    tetrabutyl urea 129.99
    diisobutyl methanol 130.34
    2-phenylethanol 353.68
    styrene 282.62
    dioctyl adipate 150.25
    dimethyl sulfate 148.78
    ethyl butyrate 219.95
    methyl lactate 134.35
    butyl lactate 177.11
    diethyl carbonate 150.59
    propanediol butyl ether 226.22
    triethyl orthoformate 158.43
    p-tert-butyltoluene 148.52
    methyl 4-tert-butylbenzoate 253.4
    morpholine 1100.09
    tert-butylamine 324.71
    n-dodecanol 79.03
    dimethoxymethane 436.28
    ethylene carbonate 293.41
    cyrene 197.88
    2-ethoxyethyl acetate 297.4
    2-ethylhexyl acetate 283.01
    1,2,4-trichlorobenzene 409.16
    4-methylpyridine 847.08
    dibutyl ether 164.76
    2,6-dimethyl-4-heptanol 130.34
    DEF 305.31
    dimethyl isosorbide 387.94
    tetrachloroethylene 405.39
    eugenol 250.21
    triacetin 237.4
    span 80 213.48
    1,4-butanediol 74.49
    1,1-dichloroethane 624.02
    2-methyl-1-pentanol 188.59
    methyl formate 174.18
    2-methyl-1-butanol 281.51
    n-decane 22.96
    butyronitrile 440.03
    3,7-dimethyl-1-octanol 165.17
    1-chlorooctane 101.79
    1-chlorotetradecane 45.07
    n-nonane 20.54
    undecane 17.01
    tert-butylcyclohexane 36.97
    cyclooctane 29.09
    cyclopentanol 321.42
    tetrahydropyran 992.56
    tert-amyl methyl ether 222.59
    2,5,8-trioxanonane 355.74
    1-hexene 103.23
    2-isopropoxyethanol 183.49
    2,2,2-trifluoroethanol 60.07
    methyl butyrate 244.51

    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