Millefin

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  • Identifiers

    CAS number
    39262-27-6

    Molecular formula
    C19H26O6

    SMILES
    CC1C2C(C/C(=C/CC(/C(=C/C2OC1=O)/C)OC(=O)C)/C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 40.1%
    Mint 33.58%
    Caramellic 32.67%
    Odorless 29.61%
    Floral 28.28%
    Spicy 27.18%
    Nutty 25.99%
    Fruity 25.84%
    Herbal 24.17%
    Burnt 23.57%

     

    Flavor
    Fruity 48.38%
    Bitter 43.84%
    Sweet 30.67%
    Minty 29.04%
    Caramel 23.44%
    Spice 21.89%
    Toffee 21.45%
    Molasses 21.13%
    Cotton candy 21.05%
    Extremely sweet 20.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.41 (neutral)

    Molecular weight
    350.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    415°C

    Melting point expt.

    • 209 - 210 °C

    Flash point

    • 204.87 ˚C est.

  • Synonyms

    • Millefin
    • 4-(acetyloxy)-3,6,10-trimethyl-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-9-yl acetate
    • (3R,3AR,4R,9S,11as)-9-(acetyloxy)-3,6,10-trimethyl-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca(b)furan-4-yl acetic acid
    • (3R,3AR,4R,9S,11as)-9-(acetyloxy)-3,6,10-trimethyl-2-oxo-2H,3H,3ah,4H,5H,8H,9H,11ah-cyclodeca[b]furan-4-yl acetic acid
    • 39262-27-6
    • 4-(acetyloxy)-3,6,10-trimethyl-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca(b)furan-9-yl acetate
    • RefChem:158897
    • CHEBI:175476
    • [(6E,10E)-4-acetyloxy-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]uran-9-yl] acetate
    • 39262-27-6

  • Applications

    Millefin, CAS 39262-27-6, is primarily used as a fragrance ingredient and fixative in perfumery, helping to impart and prolong aroma in formulations. It is also employed as a fragrance additive in cosmetics and personal care products, contributing to scent profiles in items such as lotions, creams, and cleansers. In household products, Millefin can serve as a fragrance component to enhance perceived freshness and sensory experience. In coatings, inks, and adhesives, it can function as a fragrance ingredient or processing aid within formulations. It may also be considered as an intermediate or solvent in certain industrial manufacturing applications, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 68.97
    methanol 78.54
    isopropanol 56.78
    water 0.36
    ethyl acetate 107.28
    n-propanol 73.95
    acetone 161.48
    n-butanol 63.05
    acetonitrile 95.83
    DMF 227.62
    toluene 55.53
    isobutanol 55.62
    1,4-dioxane 215.37
    methyl acetate 117.95
    THF 298.17
    2-butanone 147.94
    n-pentanol 73.23
    sec-butanol 64.51
    n-hexane 1.95
    ethylene glycol 12.05
    NMP 336.83
    cyclohexane 4.22
    DMSO 259.18
    n-butyl acetate 69.9
    n-octanol 22.1
    chloroform 540.47
    n-propyl acetate 86.69
    acetic acid 212.96
    dichloromethane 404.17
    cyclohexanone 203.07
    propylene glycol 21.87
    isopropyl acetate 64.42
    DMAc 436.48
    2-ethoxyethanol 148.44
    isopentanol 58.0
    n-heptane 0.64
    ethyl formate 75.23
    1,2-dichloroethane 175.54
    n-hexanol 43.01
    2-methoxyethanol 143.25
    isobutyl acetate 64.68
    tetrachloromethane 31.53
    n-pentyl acetate 48.1
    transcutol 211.98
    n-heptanol 23.48
    ethylbenzene 36.81
    MIBK 60.04
    2-propoxyethanol 129.79
    tert-butanol 51.55
    MTBE 36.15
    2-butoxyethanol 79.97
    propionic acid 96.58
    o-xylene 35.84
    formic acid 80.2
    diethyl ether 52.7
    m-xylene 30.95
    p-xylene 56.19
    chlorobenzene 96.95
    dimethyl carbonate 64.78
    n-octane 0.55
    formamide 117.13
    cyclopentanone 232.83
    2-pentanone 98.98
    anisole 92.3
    cyclopentyl methyl ether 83.75
    gamma-butyrolactone 276.09
    1-methoxy-2-propanol 115.6
    pyridine 210.29
    3-pentanone 85.3
    furfural 239.28
    n-dodecane 0.82
    diethylene glycol 94.98
    diisopropyl ether 11.41
    tert-amyl alcohol 56.62
    acetylacetone 123.12
    n-hexadecane 1.0
    acetophenone 114.26
    methyl propionate 98.68
    isopentyl acetate 65.54
    trichloroethylene 407.75
    n-nonanol 23.86
    cyclohexanol 67.68
    benzyl alcohol 105.25
    2-ethylhexanol 26.84
    isooctanol 20.86
    dipropyl ether 21.13
    1,2-dichlorobenzene 89.59
    ethyl lactate 58.08
    propylene carbonate 152.7
    n-methylformamide 107.53
    2-pentanol 33.73
    n-pentane 1.24
    1-propoxy-2-propanol 71.13
    1-methoxy-2-propyl acetate 83.01
    2-(2-methoxypropoxy) propanol 89.69
    mesitylene 15.55
    ε-caprolactone 198.43
    p-cymene 15.36
    epichlorohydrin 300.29
    1,1,1-trichloroethane 133.35
    2-aminoethanol 36.0
    morpholine-4-carbaldehyde 299.84
    sulfolane 281.18
    2,2,4-trimethylpentane 1.55
    2-methyltetrahydrofuran 174.2
    n-hexyl acetate 66.32
    isooctane 0.74
    2-(2-butoxyethoxy)ethanol 100.19
    sec-butyl acetate 58.5
    tert-butyl acetate 53.67
    decalin 4.21
    glycerin 41.86
    diglyme 175.12
    acrylic acid 92.33
    isopropyl myristate 25.75
    n-butyric acid 117.39
    acetyl acetate 89.71
    di(2-ethylhexyl) phthalate 44.49
    ethyl propionate 71.1
    nitromethane 282.39
    1,2-diethoxyethane 64.87
    benzonitrile 101.22
    trioctyl phosphate 26.81
    1-bromopropane 83.76
    gamma-valerolactone 331.54
    n-decanol 16.63
    triethyl phosphate 39.62
    4-methyl-2-pentanol 22.2
    propionitrile 75.38
    vinylene carbonate 154.43
    1,1,2-trichlorotrifluoroethane 223.31
    DMS 74.76
    cumene 24.07
    2-octanol 15.28
    2-hexanone 97.1
    octyl acetate 36.24
    limonene 17.93
    1,2-dimethoxyethane 192.83
    ethyl orthosilicate 36.15
    tributyl phosphate 35.93
    diacetone alcohol 76.25
    N,N-dimethylaniline 63.42
    acrylonitrile 98.22
    aniline 93.11
    1,3-propanediol 62.28
    bromobenzene 91.16
    dibromomethane 242.08
    1,1,2,2-tetrachloroethane 294.54
    2-methyl-cyclohexyl acetate 62.02
    tetrabutyl urea 47.62
    diisobutyl methanol 12.32
    2-phenylethanol 78.98
    styrene 45.06
    dioctyl adipate 51.17
    dimethyl sulfate 118.94
    ethyl butyrate 51.84
    methyl lactate 64.08
    butyl lactate 50.67
    diethyl carbonate 45.2
    propanediol butyl ether 69.39
    triethyl orthoformate 42.45
    p-tert-butyltoluene 12.29
    methyl 4-tert-butylbenzoate 70.94
    morpholine 233.77
    tert-butylamine 21.77
    n-dodecanol 12.09
    dimethoxymethane 141.28
    ethylene carbonate 125.04
    cyrene 134.47
    2-ethoxyethyl acetate 81.05
    2-ethylhexyl acetate 53.69
    1,2,4-trichlorobenzene 126.94
    4-methylpyridine 198.11
    dibutyl ether 22.77
    2,6-dimethyl-4-heptanol 12.32
    DEF 118.67
    dimethyl isosorbide 140.34
    tetrachloroethylene 168.89
    eugenol 81.24
    triacetin 86.15
    span 80 65.91
    1,4-butanediol 41.66
    1,1-dichloroethane 172.52
    2-methyl-1-pentanol 71.32
    methyl formate 89.9
    2-methyl-1-butanol 62.46
    n-decane 1.43
    butyronitrile 69.5
    3,7-dimethyl-1-octanol 25.22
    1-chlorooctane 10.93
    1-chlorotetradecane 4.41
    n-nonane 1.05
    undecane 1.03
    tert-butylcyclohexane 2.68
    cyclooctane 1.07
    cyclopentanol 79.52
    tetrahydropyran 145.82
    tert-amyl methyl ether 35.39
    2,5,8-trioxanonane 132.96
    1-hexene 16.04
    2-isopropoxyethanol 105.72
    2,2,2-trifluoroethanol 82.57
    methyl butyrate 95.34

    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