1,2-Propanediol, 3-((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-

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  • Identifiers

    CAS number
    87061-04-9

    Molecular formula
    C13H26O3

    SMILES
    CC1CCC(C(C1)OCC(CO)O)C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 61.42%
    Fruity 57.96%
    Odorless 48.34%
    Cooling 46.7%
    Fresh 25.59%
    Berry 23.48%
    Alcoholic 22.17%
    Camphoreous 21.02%
    Herbal 19.51%
    Bitter 18.98%

     

    Flavor
    Sweet 49.1%
    Odorless 35.07%
    Herbal 28.46%
    Mild 26.43%
    Fruity 25.23%
    Sweet-like 23.27%
    Minty 23.25%
    Mentholic 22.33%
    Herb 21.38%
    Tropical 21.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.2 (neutral)

    Molecular weight
    230.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 121.00 to 125.00 °C. @ 0.25 mm Hg

    Flash point

    • 150.15 ˚C est.

    Solubility expt.

    • very slightly
    • Soluble in fat; Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 87061-04-9
    • 3-[[5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL]OXY]PROPANE-1,2-DIOL
    • Menthoxypropanediol
    • cooling agent 10
    • 3-((2-Isopropyl-5-methylcyclohexyl)oxy)propane-1,2-diol
    • (Menthyl)oxypropanediol
    • 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
    • 3-1-menthoxypropane-1,2-diol
    • 1,2-Propanediol, 3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-
    • 3-L-Menthoxypropane-1,2-diol
    • 3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol
    • 1,2-Propanediol, 3-((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-
    • 3-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)-1,2-propanediol
    • 3-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)propane-1,2-diol
    • menthoxypropane-1,2-diol
    • 3-(2-isopropyl-5-methylcyclohexyloxy)propane-1,2-diol
    • 3-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}propane-1,2-diol
    • 3-(2-Isopropyl-5-methyl-cyclohexyloxy)-propane-1,2-diol
    • 1,3-Menthoxypropane-1,2-diol, L-
    • 3-((5-methyl-2-(propan-2-yl)cyclohexyl)oxy)propane-1,2-diol
    • (-)-menthoxypropane-1,2-diol
    • TK 10; 3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol
    • 3-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)-1,2-propandiol
    • EC 289-296-2
    • 3-Menthoxypropane-1,2-diol
    • SCHEMBL110177
    • 3-Menthyloxy-1,2-propanediol
    • GTPL2463
    • 3 -l-menthoxypropane-1,2-diol
    • DTXSID20868962
    • CHEBI:180392
    • 1,2-propanediol, 3-5-methyl-2-(1-methylethyl)cyclohexyloxy-
    • L-1,3-Menthoxypropane-1,2-diol
    • MFCD06410978
    • AKOS015842656
    • BS-52261
    • DB-314453
    • NS00009521
    • F72927
    • Q6555469

  • Applications

    1,2-Propanediol, 3-((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)- (CAS 87061-04-9) is a glycol ether-like compound with a diol functionality and a bulky cyclohexyl ether substituent, commonly used as a solvent and humectant in various formulations; in perfumery it serves as a fragrance ingredient and fixative to extend scent life; in cosmetics and personal care it acts as a solvent and stabilizer while contributing moisture for products such as creams, lotions, and shampoos; in cleaning and household products it functions as a solvent for fragrance oils and actives; in industrial manufacturing it can be used as a polyol or diol component in polymer and resin formulations, influencing the mechanical properties and processing; it may also serve as an intermediate in chemical syntheses or as a specialty solvent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 839.92
    methanol 1146.15
    isopropanol 599.28
    water 3.56
    ethyl acetate 315.36
    n-propanol 660.13
    acetone 368.8
    n-butanol 529.78
    acetonitrile 191.67
    DMF 261.36
    toluene 65.23
    isobutanol 448.88
    1,4-dioxane 539.44
    methyl acetate 213.49
    THF 856.38
    2-butanone 213.1
    n-pentanol 253.26
    sec-butanol 364.56
    n-hexane 20.76
    ethylene glycol 187.38
    NMP 284.81
    cyclohexane 65.71
    DMSO 785.55
    n-butyl acetate 317.98
    n-octanol 128.88
    chloroform 558.81
    n-propyl acetate 216.42
    acetic acid 862.79
    dichloromethane 398.55
    cyclohexanone 509.67
    propylene glycol 286.52
    isopropyl acetate 232.89
    DMAc 185.12
    2-ethoxyethanol 419.83
    isopentanol 433.08
    n-heptane 21.13
    ethyl formate 263.27
    1,2-dichloroethane 297.36
    n-hexanol 390.91
    2-methoxyethanol 799.13
    isobutyl acetate 152.6
    tetrachloromethane 130.07
    n-pentyl acetate 176.64
    transcutol 1236.01
    n-heptanol 176.68
    ethylbenzene 46.46
    MIBK 189.06
    2-propoxyethanol 531.98
    tert-butanol 721.64
    MTBE 315.67
    2-butoxyethanol 330.92
    propionic acid 467.78
    o-xylene 71.18
    formic acid 319.25
    diethyl ether 199.84
    m-xylene 78.54
    p-xylene 67.3
    chlorobenzene 142.62
    dimethyl carbonate 70.7
    n-octane 9.62
    formamide 326.03
    cyclopentanone 538.99
    2-pentanone 238.18
    anisole 109.67
    cyclopentyl methyl ether 335.49
    gamma-butyrolactone 643.27
    1-methoxy-2-propanol 539.92
    pyridine 246.53
    3-pentanone 129.8
    furfural 506.43
    n-dodecane 6.34
    diethylene glycol 428.64
    diisopropyl ether 87.51
    tert-amyl alcohol 414.82
    acetylacetone 296.05
    n-hexadecane 7.24
    acetophenone 136.6
    methyl propionate 182.51
    isopentyl acetate 292.88
    trichloroethylene 583.75
    n-nonanol 106.15
    cyclohexanol 435.7
    benzyl alcohol 151.3
    2-ethylhexanol 197.13
    isooctanol 147.77
    dipropyl ether 146.26
    1,2-dichlorobenzene 155.21
    ethyl lactate 132.75
    propylene carbonate 386.0
    n-methylformamide 290.27
    2-pentanol 301.25
    n-pentane 22.74
    1-propoxy-2-propanol 408.58
    1-methoxy-2-propyl acetate 284.05
    2-(2-methoxypropoxy) propanol 226.19
    mesitylene 64.76
    ε-caprolactone 464.2
    p-cymene 61.21
    epichlorohydrin 566.89
    1,1,1-trichloroethane 282.11
    2-aminoethanol 420.25
    morpholine-4-carbaldehyde 388.1
    sulfolane 738.26
    2,2,4-trimethylpentane 22.73
    2-methyltetrahydrofuran 508.41
    n-hexyl acetate 211.6
    isooctane 20.0
    2-(2-butoxyethoxy)ethanol 372.4
    sec-butyl acetate 142.76
    tert-butyl acetate 266.42
    decalin 24.53
    glycerin 377.86
    diglyme 609.19
    acrylic acid 347.06
    isopropyl myristate 69.76
    n-butyric acid 767.23
    acetyl acetate 225.83
    di(2-ethylhexyl) phthalate 90.49
    ethyl propionate 138.53
    nitromethane 657.93
    1,2-diethoxyethane 249.5
    benzonitrile 160.05
    trioctyl phosphate 75.8
    1-bromopropane 133.12
    gamma-valerolactone 694.98
    n-decanol 74.93
    triethyl phosphate 92.76
    4-methyl-2-pentanol 186.47
    propionitrile 170.16
    vinylene carbonate 303.52
    1,1,2-trichlorotrifluoroethane 568.14
    DMS 135.16
    cumene 47.13
    2-octanol 96.01
    2-hexanone 153.88
    octyl acetate 97.3
    limonene 99.93
    1,2-dimethoxyethane 429.89
    ethyl orthosilicate 97.65
    tributyl phosphate 91.0
    diacetone alcohol 327.3
    N,N-dimethylaniline 81.03
    acrylonitrile 186.5
    aniline 166.28
    1,3-propanediol 663.57
    bromobenzene 125.6
    dibromomethane 266.69
    1,1,2,2-tetrachloroethane 516.46
    2-methyl-cyclohexyl acetate 176.0
    tetrabutyl urea 95.25
    diisobutyl methanol 116.14
    2-phenylethanol 183.19
    styrene 50.85
    dioctyl adipate 115.44
    dimethyl sulfate 135.52
    ethyl butyrate 187.88
    methyl lactate 162.92
    butyl lactate 200.82
    diethyl carbonate 116.67
    propanediol butyl ether 308.63
    triethyl orthoformate 154.4
    p-tert-butyltoluene 63.46
    methyl 4-tert-butylbenzoate 182.82
    morpholine 639.16
    tert-butylamine 386.39
    n-dodecanol 53.79
    dimethoxymethane 215.35
    ethylene carbonate 287.41
    cyrene 197.24
    2-ethoxyethyl acetate 237.62
    2-ethylhexyl acetate 202.45
    1,2,4-trichlorobenzene 189.02
    4-methylpyridine 203.27
    dibutyl ether 100.87
    2,6-dimethyl-4-heptanol 116.14
    DEF 203.72
    dimethyl isosorbide 331.52
    tetrachloroethylene 417.83
    eugenol 170.09
    triacetin 215.02
    span 80 234.28
    1,4-butanediol 225.61
    1,1-dichloroethane 253.73
    2-methyl-1-pentanol 204.06
    methyl formate 224.7
    2-methyl-1-butanol 339.14
    n-decane 11.78
    butyronitrile 225.58
    3,7-dimethyl-1-octanol 137.5
    1-chlorooctane 56.75
    1-chlorotetradecane 19.53
    n-nonane 12.08
    undecane 8.2
    tert-butylcyclohexane 23.27
    cyclooctane 22.72
    cyclopentanol 444.97
    tetrahydropyran 492.79
    tert-amyl methyl ether 179.53
    2,5,8-trioxanonane 355.3
    1-hexene 60.7
    2-isopropoxyethanol 283.54
    2,2,2-trifluoroethanol 290.91
    methyl butyrate 222.56

    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