2-methyl-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol

  • Identifiers

    Molecular formula
    C14H28O3

    SMILES
    C[C@H]1CC[C@H]([C@@H](C1)OCC(C)(CO)O)C(C)C

  • Odor profile

    Fragrance
    Mint 63.46%
    Cooling 48.97%
    Odorless 47.24%
    Camphoreous 27.81%
    Woody 27.51%
    Fruity 25.7%
    Dry 20.98%
    Fresh 20.9%
    Alcoholic 20.75%
    Musk 20.05%

     

    Flavor
    Fruity 36.74%
    Sweet 36.48%
    Herbal 33.68%
    Mild 29.75%
    Minty 27.52%
    Green 27.46%
    Tropical 25.95%
    Odorless 25.13%
    Earthy 23.06%
    Herb 22.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.32 (weak base)

    Molecular weight
    244.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Flash point

    • 151.09 ˚C est.

  • Applications

    2-methyl-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol is commonly encountered as a glyceryl ether used as an intermediate and solvent in specialty chemical synthesis; in cosmetics and personal care it can function as a solubilizer or emollient; in perfumery it may serve as a fragrance ingredient or fixative; in household products it can act as a solvent or conditioning aid; in coatings and inks it may serve as a processing solvent or formulation aid; in polymers and plastics it can act as a plasticizer or processing aid, and it may be evaluated as an industrial intermediate for related glyceryl ether derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1937.56
    methanol 2173.69
    isopropanol 1585.1
    water 5.72
    ethyl acetate 1113.1
    n-propanol 1465.36
    acetone 1142.0
    n-butanol 1324.28
    acetonitrile 601.13
    DMF 779.83
    toluene 281.84
    isobutanol 1088.04
    1,4-dioxane 1716.27
    methyl acetate 767.85
    THF 2132.92
    2-butanone 763.8
    n-pentanol 651.62
    sec-butanol 1036.84
    n-hexane 114.93
    ethylene glycol 307.07
    NMP 579.43
    cyclohexane 284.11
    DMSO 1038.06
    n-butyl acetate 913.19
    n-octanol 406.24
    chloroform 1659.06
    n-propyl acetate 644.8
    acetic acid 1809.78
    dichloromethane 978.55
    cyclohexanone 1243.78
    propylene glycol 540.01
    isopropyl acetate 904.3
    DMAc 615.36
    2-ethoxyethanol 948.37
    isopentanol 1132.24
    n-heptane 85.07
    ethyl formate 702.51
    1,2-dichloroethane 781.81
    n-hexanol 989.17
    2-methoxyethanol 1636.58
    isobutyl acetate 517.94
    tetrachloromethane 403.37
    n-pentyl acetate 534.07
    transcutol 2886.77
    n-heptanol 497.12
    ethylbenzene 171.28
    MIBK 624.03
    2-propoxyethanol 1257.8
    tert-butanol 2078.58
    MTBE 1531.21
    2-butoxyethanol 830.38
    propionic acid 982.24
    o-xylene 232.75
    formic acid 667.72
    diethyl ether 1005.9
    m-xylene 270.65
    p-xylene 252.14
    chlorobenzene 406.98
    dimethyl carbonate 255.42
    n-octane 37.71
    formamide 666.06
    cyclopentanone 1055.91
    2-pentanone 775.85
    anisole 354.77
    cyclopentyl methyl ether 891.48
    gamma-butyrolactone 1190.71
    1-methoxy-2-propanol 1226.87
    pyridine 676.32
    3-pentanone 492.25
    furfural 971.09
    n-dodecane 24.77
    diethylene glycol 875.41
    diisopropyl ether 427.83
    tert-amyl alcohol 1244.25
    acetylacetone 833.12
    n-hexadecane 28.06
    acetophenone 343.0
    methyl propionate 599.62
    isopentyl acetate 917.51
    trichloroethylene 1449.06
    n-nonanol 342.13
    cyclohexanol 1086.95
    benzyl alcohol 372.61
    2-ethylhexanol 526.93
    isooctanol 420.47
    dipropyl ether 495.62
    1,2-dichlorobenzene 390.58
    ethyl lactate 326.86
    propylene carbonate 815.6
    n-methylformamide 659.53
    2-pentanol 888.69
    n-pentane 136.02
    1-propoxy-2-propanol 978.79
    1-methoxy-2-propyl acetate 821.29
    2-(2-methoxypropoxy) propanol 568.2
    mesitylene 217.67
    ε-caprolactone 1137.96
    p-cymene 175.58
    epichlorohydrin 1237.6
    1,1,1-trichloroethane 935.76
    2-aminoethanol 746.12
    morpholine-4-carbaldehyde 969.79
    sulfolane 1082.55
    2,2,4-trimethylpentane 104.44
    2-methyltetrahydrofuran 1305.51
    n-hexyl acetate 667.26
    isooctane 92.09
    2-(2-butoxyethoxy)ethanol 965.26
    sec-butyl acetate 518.7
    tert-butyl acetate 973.86
    decalin 94.42
    glycerin 669.81
    diglyme 1567.82
    acrylic acid 688.32
    isopropyl myristate 232.24
    n-butyric acid 1887.42
    acetyl acetate 744.44
    di(2-ethylhexyl) phthalate 222.74
    ethyl propionate 449.24
    nitromethane 1530.81
    1,2-diethoxyethane 816.89
    benzonitrile 396.29
    trioctyl phosphate 198.69
    1-bromopropane 486.94
    gamma-valerolactone 1528.84
    n-decanol 238.89
    triethyl phosphate 238.27
    4-methyl-2-pentanol 577.07
    propionitrile 541.44
    vinylene carbonate 684.66
    1,1,2-trichlorotrifluoroethane 1137.53
    DMS 399.25
    cumene 157.1
    2-octanol 303.84
    2-hexanone 476.06
    octyl acetate 299.87
    limonene 288.66
    1,2-dimethoxyethane 1228.15
    ethyl orthosilicate 266.87
    tributyl phosphate 236.91
    diacetone alcohol 888.69
    N,N-dimethylaniline 240.78
    acrylonitrile 512.41
    aniline 474.34
    1,3-propanediol 1209.05
    bromobenzene 375.14
    dibromomethane 756.85
    1,1,2,2-tetrachloroethane 1349.26
    2-methyl-cyclohexyl acetate 449.25
    tetrabutyl urea 232.13
    diisobutyl methanol 344.68
    2-phenylethanol 447.58
    styrene 187.76
    dioctyl adipate 314.38
    dimethyl sulfate 362.69
    ethyl butyrate 565.45
    methyl lactate 398.95
    butyl lactate 500.62
    diethyl carbonate 348.51
    propanediol butyl ether 762.82
    triethyl orthoformate 448.91
    p-tert-butyltoluene 186.78
    methyl 4-tert-butylbenzoate 435.12
    morpholine 1736.51
    tert-butylamine 1275.47
    n-dodecanol 174.57
    dimethoxymethane 718.11
    ethylene carbonate 699.92
    cyrene 382.21
    2-ethoxyethyl acetate 641.71
    2-ethylhexyl acetate 650.54
    1,2,4-trichlorobenzene 463.69
    4-methylpyridine 640.76
    dibutyl ether 385.58
    2,6-dimethyl-4-heptanol 344.68
    DEF 683.11
    dimethyl isosorbide 724.87
    tetrachloroethylene 1014.81
    eugenol 380.25
    triacetin 574.61
    span 80 533.35
    1,4-butanediol 422.97
    1,1-dichloroethane 912.18
    2-methyl-1-pentanol 570.2
    methyl formate 533.15
    2-methyl-1-butanol 904.45
    n-decane 49.03
    butyronitrile 713.86
    3,7-dimethyl-1-octanol 418.63
    1-chlorooctane 211.04
    1-chlorotetradecane 70.44
    n-nonane 49.41
    undecane 33.04
    tert-butylcyclohexane 97.03
    cyclooctane 94.99
    cyclopentanol 879.68
    tetrahydropyran 1592.98
    tert-amyl methyl ether 827.23
    2,5,8-trioxanonane 842.98
    1-hexene 292.88
    2-isopropoxyethanol 716.35
    2,2,2-trifluoroethanol 617.32
    methyl butyrate 651.63

    Scent© AI

1 of 3
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