3,3,5-Trimethylcyclohexyl dipropylene glycol

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  • Identifiers

    CAS number
    73987-16-3

    Molecular formula
    C15H30O3

    SMILES
    CC1CC(CC(C1)(C)C)OC(C)COCC(C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 44.27%
    Odorless 31.27%
    Mint 31.08%
    Alcoholic 25.15%
    Cooling 23.02%
    Woody 22.44%
    Musk 20.01%
    Fresh 18.89%
    Ethereal 18.47%
    Berry 17.54%

     

    Flavor
    Fruity 35.69%
    Sweet 34.27%
    Herbal 33.81%
    Green 30.48%
    Earthy 28.93%
    Tropical 27.76%
    Mild 26.4%
    Musty 24.51%
    Woody 23.53%
    Floral 23.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.64 (neutral)

    Molecular weight
    258.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 122.38 ˚C est.

  • Synonyms

    • 73987-16-3
    • 3,3,5-Trimethylcyclohexyl dipropylene glycol
    • NSC 68880
    • Dipropylene glycol, 3,3,5-trimethylcyclohexyl ester
    • Dipropylene glycol, 3,3,5-trimethylcyclohexyl ether
    • 1-{2-[(3,3,5-trimethylcyclohexyl)oxy]propoxy}propan-2-ol
    • DTXSID10995256
    • 2-Propanol, 1-(2-((3,3,5-trimethylcyclohexyl)oxy)propoxy)-
    • NSC68880
    • NSC-68880
    • 3,5-Trimethylcyclohexyl dipropylene glycol
    • WLN: L6TJ A1 A1 COY1&1O1YQ1 E1
    • Dipropylene glycol,3,5-trimethylcyclohexyl ester
    • 2-Propanol,3,5-trimethylcyclohexyl)oxy]propoxy]-
    • 73987-16-3

  • Applications

    3,3,5-Trimethylcyclohexyl dipropylene glycol (CAS 73987-16-3) is primarily used as a solvent and co-solvent in formulations for coatings, inks, and adhesives; it can serve as a fragrance component or fixative in perfumery; it is also evaluated as a solvent or processing aid in cosmetics and personal care; it appears in household cleaning products as a solvent or humectant-type ingredient; and is considered a processing aid or intermediary in polymer and plastic formulations, with potential applications in industrial cleaning and electronics-related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1559.21
    methanol 2155.62
    isopropanol 817.78
    water 4.48
    ethyl acetate 537.51
    n-propanol 1001.74
    acetone 530.9
    n-butanol 854.54
    acetonitrile 390.92
    DMF 395.54
    toluene 267.69
    isobutanol 644.01
    1,4-dioxane 1023.12
    methyl acetate 409.4
    THF 1517.35
    2-butanone 424.51
    n-pentanol 549.67
    sec-butanol 622.01
    n-hexane 93.2
    ethylene glycol 203.53
    NMP 483.41
    cyclohexane 196.27
    DMSO 637.94
    n-butyl acetate 651.82
    n-octanol 363.59
    chloroform 1407.37
    n-propyl acetate 456.02
    acetic acid 1301.31
    dichloromethane 1079.18
    cyclohexanone 869.3
    propylene glycol 371.79
    isopropyl acetate 408.64
    DMAc 355.66
    2-ethoxyethanol 640.73
    isopentanol 606.8
    n-heptane 129.27
    ethyl formate 468.83
    1,2-dichloroethane 544.41
    n-hexanol 865.25
    2-methoxyethanol 1052.64
    isobutyl acetate 372.0
    tetrachloromethane 205.54
    n-pentyl acetate 386.18
    transcutol 1881.79
    n-heptanol 378.95
    ethylbenzene 155.99
    MIBK 327.98
    2-propoxyethanol 950.13
    tert-butanol 720.48
    MTBE 520.71
    2-butoxyethanol 568.38
    propionic acid 633.48
    o-xylene 192.69
    formic acid 486.82
    diethyl ether 531.69
    m-xylene 228.28
    p-xylene 219.39
    chlorobenzene 356.04
    dimethyl carbonate 134.81
    n-octane 38.18
    formamide 324.66
    cyclopentanone 701.65
    2-pentanone 440.37
    anisole 261.86
    cyclopentyl methyl ether 695.68
    gamma-butyrolactone 829.71
    1-methoxy-2-propanol 701.68
    pyridine 538.7
    3-pentanone 289.07
    furfural 685.64
    n-dodecane 24.65
    diethylene glycol 607.32
    diisopropyl ether 208.23
    tert-amyl alcohol 561.07
    acetylacetone 414.05
    n-hexadecane 27.88
    acetophenone 274.3
    methyl propionate 345.2
    isopentyl acetate 560.52
    trichloroethylene 1031.72
    n-nonanol 303.28
    cyclohexanol 731.76
    benzyl alcohol 303.68
    2-ethylhexanol 505.19
    isooctanol 305.22
    dipropyl ether 478.43
    1,2-dichlorobenzene 316.36
    ethyl lactate 235.6
    propylene carbonate 557.54
    n-methylformamide 366.47
    2-pentanol 476.39
    n-pentane 95.02
    1-propoxy-2-propanol 759.01
    1-methoxy-2-propyl acetate 528.73
    2-(2-methoxypropoxy) propanol 429.07
    mesitylene 155.73
    ε-caprolactone 796.09
    p-cymene 182.4
    epichlorohydrin 853.55
    1,1,1-trichloroethane 483.25
    2-aminoethanol 539.16
    morpholine-4-carbaldehyde 641.75
    sulfolane 750.76
    2,2,4-trimethylpentane 63.89
    2-methyltetrahydrofuran 972.56
    n-hexyl acetate 530.03
    isooctane 52.18
    2-(2-butoxyethoxy)ethanol 651.64
    sec-butyl acetate 316.86
    tert-butyl acetate 424.8
    decalin 81.61
    glycerin 422.97
    diglyme 980.41
    acrylic acid 451.78
    isopropyl myristate 195.02
    n-butyric acid 1006.69
    acetyl acetate 387.16
    di(2-ethylhexyl) phthalate 204.61
    ethyl propionate 298.08
    nitromethane 804.27
    1,2-diethoxyethane 563.17
    benzonitrile 357.95
    trioctyl phosphate 165.48
    1-bromopropane 397.29
    gamma-valerolactone 1024.12
    n-decanol 201.83
    triethyl phosphate 189.14
    4-methyl-2-pentanol 290.64
    propionitrile 341.22
    vinylene carbonate 495.73
    1,1,2-trichlorotrifluoroethane 753.08
    DMS 272.46
    cumene 136.51
    2-octanol 246.76
    2-hexanone 397.72
    octyl acetate 254.66
    limonene 291.51
    1,2-dimethoxyethane 772.75
    ethyl orthosilicate 203.0
    tributyl phosphate 201.24
    diacetone alcohol 448.18
    N,N-dimethylaniline 187.57
    acrylonitrile 322.61
    aniline 346.67
    1,3-propanediol 770.12
    bromobenzene 341.15
    dibromomethane 769.95
    1,1,2,2-tetrachloroethane 809.41
    2-methyl-cyclohexyl acetate 386.0
    tetrabutyl urea 212.68
    diisobutyl methanol 230.91
    2-phenylethanol 387.58
    styrene 171.16
    dioctyl adipate 286.02
    dimethyl sulfate 182.26
    ethyl butyrate 413.63
    methyl lactate 231.56
    butyl lactate 370.51
    diethyl carbonate 261.15
    propanediol butyl ether 562.18
    triethyl orthoformate 330.89
    p-tert-butyltoluene 168.13
    methyl 4-tert-butylbenzoate 314.05
    morpholine 1210.27
    tert-butylamine 446.22
    n-dodecanol 147.65
    dimethoxymethane 439.72
    ethylene carbonate 464.91
    cyrene 330.06
    2-ethoxyethyl acetate 445.56
    2-ethylhexyl acetate 454.96
    1,2,4-trichlorobenzene 384.4
    4-methylpyridine 495.89
    dibutyl ether 331.7
    2,6-dimethyl-4-heptanol 230.91
    DEF 369.56
    dimethyl isosorbide 613.81
    tetrachloroethylene 588.12
    eugenol 298.29
    triacetin 444.35
    span 80 456.69
    1,4-butanediol 307.19
    1,1-dichloroethane 521.77
    2-methyl-1-pentanol 416.14
    methyl formate 305.36
    2-methyl-1-butanol 552.76
    n-decane 52.4
    butyronitrile 482.81
    3,7-dimethyl-1-octanol 322.29
    1-chlorooctane 208.54
    1-chlorotetradecane 68.93
    n-nonane 54.5
    undecane 33.27
    tert-butylcyclohexane 82.7
    cyclooctane 71.74
    cyclopentanol 644.88
    tetrahydropyran 1148.61
    tert-amyl methyl ether 376.09
    2,5,8-trioxanonane 606.23
    1-hexene 232.34
    2-isopropoxyethanol 466.91
    2,2,2-trifluoroethanol 323.81
    methyl butyrate 424.48

    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