Motrilin

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  • Identifiers

    CAS number
    138551-27-6

    Molecular formula
    C37H66O7

    SMILES
    CCCCC[C@@H](CCCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCCCCC3=C[C@@H](OC3=O)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 37.94%
    Fruity 33.68%
    Lactonic 32.39%
    Peach 30.77%
    Odorless 30.7%
    Fresh 30.29%
    Sweet 28.47%
    Waxy 26.9%
    Fatty 26.39%
    Milky 25.88%

     

    Flavor
    Fatty 32.37%
    Mild 26.82%
    Waxy 26.31%
    Bland 25.98%
    Oily 25.59%
    Herbal 24.52%
    Odorless 24.34%
    Floral 21.73%
    Cedarleaf 21.2%
    Fresh 21.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.3

    pKa est.
    7.86 (neutral)

    Molecular weight
    622.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1685°C

    Flash point

    • 242.56 ˚C est.

  • Synonyms

    • Motrilin
    • 138551-27-6
    • (2S)-4-((13R)-13-((2R,5R)-5-((2R,5R)-5-((1S,6S)-1,6-dihydroxyundecyl)oxolan-2-yl)oxolan-2-yl)-13-hydroxytridecyl)-2-methyl-2H-furan-5-one
    • (2S)-4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,6S)-1,6-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
    • 2(5H)-Furanone, 3-((13R)-13-((2R,2'R,5R,5'R)-5'-((1S)-1,6-dihydroxyundecyl)octahydro(2,2'-bifuran)-5-yl)-13-hydroxytridecyl)-5-methyl-, rel-
    • RefChem:159835
    • CHEMBL66691
    • SCHEMBL11961381
    • DTXSID50930146
    • BDBM50369751
    • Q43184772
    • (5S)-3-[(13R)-13-{(2R,2'R,5R,5'R)-5'-[(1S,6S)-1,6-Dihydroxyundecyl][2,2'-bioxolan]-5-yl}-13-hydroxytridecyl]-5-methylfuran-2(5H)-one
    • 3-{13-[5'-(1,6-Dihydroxyundecyl)[2,2'-bioxolan]-5-yl]-13-hydroxytridecyl}-5-methylfuran-2(5H)-one
    • 138551-27-6

  • Applications

    Motrilin (CAS 138551-27-6) may find use as an intermediate in organic synthesis, as a solvent in specialty formulations, and as a fragrance-related ingredient with potential odorant or fixative roles in perfumery; it could also be considered for use as a plasticizer or stabilizer in select polymer systems and as a processing aid in coatings and inks, with applications subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.73
    methanol 12.98
    isopropanol 5.34
    water 0.15
    ethyl acetate 27.52
    n-propanol 12.04
    acetone 25.38
    n-butanol 12.53
    acetonitrile 7.28
    DMF 37.75
    toluene 14.55
    isobutanol 8.35
    1,4-dioxane 45.03
    methyl acetate 20.61
    THF 122.55
    2-butanone 34.55
    n-pentanol 12.07
    sec-butanol 9.69
    n-hexane 1.07
    ethylene glycol 1.5
    NMP 161.06
    cyclohexane 2.28
    DMSO 51.03
    n-butyl acetate 22.71
    n-octanol 17.08
    chloroform 108.3
    n-propyl acetate 23.23
    acetic acid 36.21
    dichloromethane 98.83
    cyclohexanone 94.9
    propylene glycol 3.66
    isopropyl acetate 23.0
    DMAc 116.5
    2-ethoxyethanol 34.85
    isopentanol 11.43
    n-heptane 1.32
    ethyl formate 19.33
    1,2-dichloroethane 43.75
    n-hexanol 10.03
    2-methoxyethanol 35.52
    isobutyl acetate 15.79
    tetrachloromethane 15.26
    n-pentyl acetate 54.53
    transcutol 145.83
    n-heptanol 16.75
    ethylbenzene 9.93
    MIBK 23.3
    2-propoxyethanol 39.23
    tert-butanol 6.34
    MTBE 12.9
    2-butoxyethanol 54.32
    propionic acid 20.86
    o-xylene 12.45
    formic acid 15.57
    diethyl ether 13.01
    m-xylene 10.71
    p-xylene 10.66
    chlorobenzene 25.39
    dimethyl carbonate 18.58
    n-octane 0.94
    formamide 19.15
    cyclopentanone 108.4
    2-pentanone 32.35
    anisole 20.89
    cyclopentyl methyl ether 48.87
    gamma-butyrolactone 126.32
    1-methoxy-2-propanol 32.6
    pyridine 49.15
    3-pentanone 30.29
    furfural 89.62
    n-dodecane 0.76
    diethylene glycol 15.73
    diisopropyl ether 4.98
    tert-amyl alcohol 11.69
    acetylacetone 46.99
    n-hexadecane 0.91
    acetophenone 33.61
    methyl propionate 29.87
    isopentyl acetate 25.22
    trichloroethylene 110.1
    n-nonanol 18.63
    cyclohexanol 20.17
    benzyl alcohol 20.35
    2-ethylhexanol 9.4
    isooctanol 14.57
    dipropyl ether 13.51
    1,2-dichlorobenzene 31.33
    ethyl lactate 19.33
    propylene carbonate 62.35
    n-methylformamide 21.51
    2-pentanol 8.39
    n-pentane 0.96
    1-propoxy-2-propanol 31.74
    1-methoxy-2-propyl acetate 40.72
    2-(2-methoxypropoxy) propanol 45.41
    mesitylene 6.03
    ε-caprolactone 117.65
    p-cymene 7.34
    epichlorohydrin 117.9
    1,1,1-trichloroethane 39.08
    2-aminoethanol 6.04
    morpholine-4-carbaldehyde 105.72
    sulfolane 182.9
    2,2,4-trimethylpentane 1.27
    2-methyltetrahydrofuran 68.85
    n-hexyl acetate 53.45
    isooctane 0.59
    2-(2-butoxyethoxy)ethanol 63.26
    sec-butyl acetate 19.31
    tert-butyl acetate 28.7
    decalin 2.27
    glycerin 9.12
    diglyme 117.44
    acrylic acid 20.19
    isopropyl myristate 14.71
    n-butyric acid 41.48
    acetyl acetate 24.6
    di(2-ethylhexyl) phthalate 19.81
    ethyl propionate 23.6
    nitromethane 55.12
    1,2-diethoxyethane 38.39
    benzonitrile 18.66
    trioctyl phosphate 14.7
    1-bromopropane 19.58
    gamma-valerolactone 192.26
    n-decanol 10.55
    triethyl phosphate 17.65
    4-methyl-2-pentanol 6.35
    propionitrile 8.63
    vinylene carbonate 56.45
    1,1,2-trichlorotrifluoroethane 102.08
    DMS 27.28
    cumene 7.19
    2-octanol 11.84
    2-hexanone 26.44
    octyl acetate 23.05
    limonene 10.89
    1,2-dimethoxyethane 46.54
    ethyl orthosilicate 18.37
    tributyl phosphate 16.6
    diacetone alcohol 35.63
    N,N-dimethylaniline 17.69
    acrylonitrile 11.92
    aniline 17.59
    1,3-propanediol 11.52
    bromobenzene 27.11
    dibromomethane 51.47
    1,1,2,2-tetrachloroethane 93.45
    2-methyl-cyclohexyl acetate 27.93
    tetrabutyl urea 24.09
    diisobutyl methanol 5.66
    2-phenylethanol 18.96
    styrene 9.73
    dioctyl adipate 28.38
    dimethyl sulfate 48.13
    ethyl butyrate 23.08
    methyl lactate 24.75
    butyl lactate 45.07
    diethyl carbonate 13.81
    propanediol butyl ether 38.38
    triethyl orthoformate 24.86
    p-tert-butyltoluene 6.6
    methyl 4-tert-butylbenzoate 56.34
    morpholine 64.86
    tert-butylamine 3.62
    n-dodecanol 6.29
    dimethoxymethane 37.81
    ethylene carbonate 49.24
    cyrene 56.03
    2-ethoxyethyl acetate 74.28
    2-ethylhexyl acetate 22.19
    1,2,4-trichlorobenzene 41.89
    4-methylpyridine 38.97
    dibutyl ether 18.47
    2,6-dimethyl-4-heptanol 5.66
    DEF 47.56
    dimethyl isosorbide 82.71
    tetrachloroethylene 62.02
    eugenol 46.4
    triacetin 67.88
    span 80 43.68
    1,4-butanediol 5.81
    1,1-dichloroethane 30.43
    2-methyl-1-pentanol 13.17
    methyl formate 17.37
    2-methyl-1-butanol 13.35
    n-decane 1.92
    butyronitrile 9.93
    3,7-dimethyl-1-octanol 13.29
    1-chlorooctane 11.44
    1-chlorotetradecane 3.02
    n-nonane 1.55
    undecane 1.13
    tert-butylcyclohexane 1.5
    cyclooctane 1.28
    cyclopentanol 23.18
    tetrahydropyran 49.19
    tert-amyl methyl ether 18.23
    2,5,8-trioxanonane 68.03
    1-hexene 4.41
    2-isopropoxyethanol 25.71
    2,2,2-trifluoroethanol 23.94
    methyl butyrate 32.2

    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