Muricatacin

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  • Identifiers

    CAS number
    134698-86-5

    Molecular formula
    C17H32O3

    SMILES
    CCCCCCCCCCCC[C@H]([C@H]1CCC(=O)O1)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 58.87%
    Waxy 58.45%
    Oily 44.97%
    Creamy 36.06%
    Lactonic 34.84%
    Milky 34.8%
    Coconut 33.5%
    Peach 33.41%
    Buttery 33.11%
    Dairy 31.82%

     

    Flavor
    Fatty 60.66%
    Waxy 55.35%
    Oily 47.08%
    Creamy 42.35%
    Coconut 41.06%
    Mild 34.72%
    Fat 33.78%
    Peach 29.54%
    Fruity 28.49%
    Sweet 28.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.28 (neutral)

    Molecular weight
    284.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    441°C

    Flash point

    • 168.17 ˚C est.

  • Synonyms

    • Muricatacin
    • 134698-86-5
    • DTXSID10158864
    • 2(3H)-Furanone, dihydro-5-(1-hydroxytridecyl)-, (R-(R*,R*))-
    • RefChem:926228
    • DTXCID4081355
    • 5-(1-hydroxytridecyl)oxolan-2-one
    • (5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-one
    • (+)-5-epi-muricatacin
    • CHEMBL487910
    • CHEBI:185820
    • 134698-86-5

  • Applications

    Muricatacin (CAS 134698-86-5) may be used as an intermediate in organic synthesis; as a solvent or processing aid in industrial manufacturing; as a component in coatings, paints, and inks as a specialized additive; potentially as an odorant or fragrance ingredient in perfumery or cosmetics; and as a stabilizer or processing additive in polymers and plastics.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 480.43
    methanol 504.93
    isopropanol 523.24
    water 0.05
    ethyl acetate 1267.96
    n-propanol 445.6
    acetone 1144.56
    n-butanol 451.86
    acetonitrile 430.8
    DMF 1020.89
    toluene 240.71
    isobutanol 374.56
    1,4-dioxane 859.88
    methyl acetate 711.75
    THF 2044.7
    2-butanone 939.77
    n-pentanol 301.94
    sec-butanol 417.18
    n-hexane 37.69
    ethylene glycol 20.35
    NMP 957.24
    cyclohexane 119.94
    DMSO 1286.17
    n-butyl acetate 1051.09
    n-octanol 188.06
    chloroform 1598.85
    n-propyl acetate 1240.22
    acetic acid 376.67
    dichloromethane 1707.91
    cyclohexanone 1777.05
    propylene glycol 64.28
    isopropyl acetate 1130.49
    DMAc 1127.76
    2-ethoxyethanol 596.01
    isopentanol 501.9
    n-heptane 28.06
    ethyl formate 537.23
    1,2-dichloroethane 1180.78
    n-hexanol 272.08
    2-methoxyethanol 718.95
    isobutyl acetate 774.19
    tetrachloromethane 277.03
    n-pentyl acetate 883.35
    transcutol 2120.19
    n-heptanol 190.34
    ethylbenzene 166.12
    MIBK 782.04
    2-propoxyethanol 598.04
    tert-butanol 728.49
    MTBE 933.68
    2-butoxyethanol 495.41
    propionic acid 365.93
    o-xylene 201.68
    formic acid 69.36
    diethyl ether 720.46
    m-xylene 193.57
    p-xylene 250.56
    chlorobenzene 488.15
    dimethyl carbonate 219.68
    n-octane 16.43
    formamide 153.42
    cyclopentanone 1715.5
    2-pentanone 1106.5
    anisole 428.2
    cyclopentyl methyl ether 892.63
    gamma-butyrolactone 1704.44
    1-methoxy-2-propanol 742.12
    pyridine 855.98
    3-pentanone 626.99
    furfural 1030.95
    n-dodecane 13.45
    diethylene glycol 254.71
    diisopropyl ether 255.7
    tert-amyl alcohol 527.43
    acetylacetone 1217.29
    n-hexadecane 16.93
    acetophenone 530.89
    methyl propionate 672.5
    isopentyl acetate 960.86
    trichloroethylene 1886.51
    n-nonanol 177.39
    cyclohexanol 551.26
    benzyl alcohol 297.04
    2-ethylhexanol 231.23
    isooctanol 194.03
    dipropyl ether 393.27
    1,2-dichlorobenzene 527.65
    ethyl lactate 316.68
    propylene carbonate 1016.01
    n-methylformamide 395.75
    2-pentanol 363.46
    n-pentane 28.48
    1-propoxy-2-propanol 560.02
    1-methoxy-2-propyl acetate 836.26
    2-(2-methoxypropoxy) propanol 405.74
    mesitylene 150.03
    ε-caprolactone 1523.82
    p-cymene 127.02
    epichlorohydrin 1688.31
    1,1,1-trichloroethane 1183.22
    2-aminoethanol 99.46
    morpholine-4-carbaldehyde 966.07
    sulfolane 1675.01
    2,2,4-trimethylpentane 31.96
    2-methyltetrahydrofuran 1361.31
    n-hexyl acetate 802.2
    isooctane 23.16
    2-(2-butoxyethoxy)ethanol 603.1
    sec-butyl acetate 829.47
    tert-butyl acetate 1121.28
    decalin 59.3
    glycerin 102.63
    diglyme 1298.24
    acrylic acid 203.4
    isopropyl myristate 240.27
    n-butyric acid 1018.04
    acetyl acetate 701.96
    di(2-ethylhexyl) phthalate 188.72
    ethyl propionate 863.59
    nitromethane 1001.56
    1,2-diethoxyethane 913.7
    benzonitrile 489.55
    trioctyl phosphate 141.86
    1-bromopropane 665.24
    gamma-valerolactone 2012.16
    n-decanol 111.56
    triethyl phosphate 278.54
    4-methyl-2-pentanol 256.91
    propionitrile 471.18
    vinylene carbonate 726.76
    1,1,2-trichlorotrifluoroethane 843.86
    DMS 464.95
    cumene 129.28
    2-octanol 165.06
    2-hexanone 806.2
    octyl acetate 290.17
    limonene 222.98
    1,2-dimethoxyethane 1311.59
    ethyl orthosilicate 272.71
    tributyl phosphate 206.35
    diacetone alcohol 799.14
    N,N-dimethylaniline 263.92
    acrylonitrile 449.15
    aniline 300.08
    1,3-propanediol 281.52
    bromobenzene 557.82
    dibromomethane 1027.89
    1,1,2,2-tetrachloroethane 1628.52
    2-methyl-cyclohexyl acetate 495.9
    tetrabutyl urea 265.47
    diisobutyl methanol 151.98
    2-phenylethanol 288.92
    styrene 219.27
    dioctyl adipate 374.31
    dimethyl sulfate 402.47
    ethyl butyrate 743.74
    methyl lactate 246.66
    butyl lactate 493.44
    diethyl carbonate 407.63
    propanediol butyl ether 360.72
    triethyl orthoformate 478.92
    p-tert-butyltoluene 122.08
    methyl 4-tert-butylbenzoate 460.7
    morpholine 1224.87
    tert-butylamine 384.44
    n-dodecanol 78.75
    dimethoxymethane 720.03
    ethylene carbonate 781.06
    cyrene 356.89
    2-ethoxyethyl acetate 945.09
    2-ethylhexyl acetate 699.48
    1,2,4-trichlorobenzene 600.06
    4-methylpyridine 861.18
    dibutyl ether 440.26
    2,6-dimethyl-4-heptanol 151.98
    DEF 1057.59
    dimethyl isosorbide 748.03
    tetrachloroethylene 1001.62
    eugenol 376.24
    triacetin 714.3
    span 80 342.67
    1,4-butanediol 106.98
    1,1-dichloroethane 1160.69
    2-methyl-1-pentanol 320.67
    methyl formate 256.04
    2-methyl-1-butanol 399.54
    n-decane 28.81
    butyronitrile 640.96
    3,7-dimethyl-1-octanol 222.58
    1-chlorooctane 182.65
    1-chlorotetradecane 55.79
    n-nonane 26.11
    undecane 18.29
    tert-butylcyclohexane 47.24
    cyclooctane 29.68
    cyclopentanol 556.6
    tetrahydropyran 1364.25
    tert-amyl methyl ether 577.01
    2,5,8-trioxanonane 734.63
    1-hexene 197.28
    2-isopropoxyethanol 517.41
    2,2,2-trifluoroethanol 158.12
    methyl butyrate 1293.91

    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