[1-(2,3-Dihydroxypropyl)-5-methyl-2-propan-2-ylcyclohexyl] hydrogen carbonate

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  • Identifiers

    CAS number
    30304-82-6

    Molecular formula
    C14H26O5

    SMILES
    CC1CCC(C(C1)(CC(CO)O)OC(=O)O)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.7%
    Mint 42.95%
    Cooling 42.7%
    Balsamic 27.7%
    Herbal 25.16%
    Fresh 23.38%
    Woody 22.49%
    Dry 22.23%
    Musk 20.47%
    Clean 20.41%

     

    Flavor
    Odorless 42.75%
    Fruity 39.83%
    Sweet 37.08%
    Mild 30.81%
    Tropical 25.87%
    Woody 22.96%
    Sweet-like 22.19%
    Herbal 21.61%
    Clary 21.15%
    Bitter 20.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.91 (neutral)

    Molecular weight
    274.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    414°C

    Flash point

    • 184.21 ˚C est.

  • Synonyms

    • 30304-82-6
    • [1-(2,3-dihydroxypropyl)-5-methyl-2-propan-2-ylcyclohexyl] hydrogen carbonate
    • 1-(2,3-dihydroxypropyl)-5-methyl-2-(propan-2-yl)cyclohexyl hydrogen carbonate
    • SCHEMBL29655375
    • 30304-82-6

  • Applications

    [1-(2,3-Dihydroxypropyl)-5-methyl-2-propan-2-ylcyclohexyl] hydrogen carbonate (CAS 30304-82-6) is primarily viewed as an organic-synthesis intermediate and a functional polyol-containing additive in multiple formulations. Real-world applications may include: serving as an intermediate for the synthesis of more complex organic compounds; providing a polyol component in polyurethane and related polymer systems to impart flexibility; acting as a plasticizer or humectant in cosmetics, personal care, and household products; serving as a processing aid or crosslinking modifier in coatings, inks, and adhesives to improve processing and adhesion; and functioning as a polar solvent/co-solvent in certain industrial formulations. Its use is formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 163.02
    methanol 510.04
    isopropanol 88.2
    water 6.35
    ethyl acetate 32.79
    n-propanol 112.18
    acetone 57.22
    n-butanol 88.54
    acetonitrile 15.85
    DMF 264.95
    toluene 15.93
    isobutanol 69.72
    1,4-dioxane 108.65
    methyl acetate 25.3
    THF 373.86
    2-butanone 36.84
    n-pentanol 63.9
    sec-butanol 56.42
    n-hexane 1.96
    ethylene glycol 128.29
    NMP 447.46
    cyclohexane 2.85
    DMSO 586.42
    n-butyl acetate 43.49
    n-octanol 24.48
    chloroform 33.14
    n-propyl acetate 26.73
    acetic acid 162.78
    dichloromethane 43.01
    cyclohexanone 138.77
    propylene glycol 177.43
    isopropyl acetate 29.9
    DMAc 194.92
    2-ethoxyethanol 132.9
    isopentanol 66.51
    n-heptane 1.89
    ethyl formate 41.48
    1,2-dichloroethane 34.36
    n-hexanol 83.68
    2-methoxyethanol 296.67
    isobutyl acetate 22.19
    tetrachloromethane 7.03
    n-pentyl acetate 32.14
    transcutol 151.43
    n-heptanol 39.96
    ethylbenzene 11.28
    MIBK 40.98
    2-propoxyethanol 198.72
    tert-butanol 95.24
    MTBE 20.1
    2-butoxyethanol 90.95
    propionic acid 102.74
    o-xylene 17.64
    formic acid 183.31
    diethyl ether 16.62
    m-xylene 24.8
    p-xylene 14.37
    chlorobenzene 19.86
    dimethyl carbonate 31.0
    n-octane 1.03
    formamide 155.14
    cyclopentanone 248.35
    2-pentanone 48.16
    anisole 24.92
    cyclopentyl methyl ether 89.86
    gamma-butyrolactone 294.46
    1-methoxy-2-propanol 226.82
    pyridine 53.98
    3-pentanone 25.38
    furfural 181.85
    n-dodecane 0.71
    diethylene glycol 187.52
    diisopropyl ether 7.98
    tert-amyl alcohol 60.35
    acetylacetone 74.97
    n-hexadecane 0.82
    acetophenone 45.36
    methyl propionate 42.47
    isopentyl acetate 44.24
    trichloroethylene 62.7
    n-nonanol 21.81
    cyclohexanol 79.96
    benzyl alcohol 55.43
    2-ethylhexanol 30.77
    isooctanol 29.55
    dipropyl ether 17.73
    1,2-dichlorobenzene 23.41
    ethyl lactate 41.05
    propylene carbonate 127.52
    n-methylformamide 159.28
    2-pentanol 42.18
    n-pentane 1.84
    1-propoxy-2-propanol 113.9
    1-methoxy-2-propyl acetate 73.74
    2-(2-methoxypropoxy) propanol 65.11
    mesitylene 16.94
    ε-caprolactone 141.43
    p-cymene 12.71
    epichlorohydrin 188.19
    1,1,1-trichloroethane 18.02
    2-aminoethanol 205.3
    morpholine-4-carbaldehyde 286.14
    sulfolane 506.97
    2,2,4-trimethylpentane 1.67
    2-methyltetrahydrofuran 120.57
    n-hexyl acetate 39.44
    isooctane 1.6
    2-(2-butoxyethoxy)ethanol 89.54
    sec-butyl acetate 18.89
    tert-butyl acetate 41.51
    decalin 2.6
    glycerin 255.11
    diglyme 124.07
    acrylic acid 110.14
    isopropyl myristate 13.42
    n-butyric acid 111.91
    acetyl acetate 26.83
    di(2-ethylhexyl) phthalate 29.06
    ethyl propionate 24.5
    nitromethane 124.93
    1,2-diethoxyethane 29.89
    benzonitrile 33.84
    trioctyl phosphate 23.09
    1-bromopropane 13.08
    gamma-valerolactone 344.36
    n-decanol 15.18
    triethyl phosphate 20.99
    4-methyl-2-pentanol 29.89
    propionitrile 17.55
    vinylene carbonate 95.18
    1,1,2-trichlorotrifluoroethane 184.0
    DMS 36.94
    cumene 10.78
    2-octanol 21.12
    2-hexanone 29.28
    octyl acetate 20.35
    limonene 15.41
    1,2-dimethoxyethane 110.66
    ethyl orthosilicate 19.78
    tributyl phosphate 21.59
    diacetone alcohol 103.08
    N,N-dimethylaniline 28.83
    acrylonitrile 32.61
    aniline 37.53
    1,3-propanediol 203.57
    bromobenzene 16.17
    dibromomethane 24.62
    1,1,2,2-tetrachloroethane 57.37
    2-methyl-cyclohexyl acetate 41.65
    tetrabutyl urea 31.52
    diisobutyl methanol 18.48
    2-phenylethanol 62.35
    styrene 9.81
    dioctyl adipate 26.75
    dimethyl sulfate 88.11
    ethyl butyrate 26.81
    methyl lactate 77.81
    butyl lactate 50.97
    diethyl carbonate 18.08
    propanediol butyl ether 93.84
    triethyl orthoformate 24.44
    p-tert-butyltoluene 12.79
    methyl 4-tert-butylbenzoate 61.74
    morpholine 178.33
    tert-butylamine 29.69
    n-dodecanol 10.05
    dimethoxymethane 123.92
    ethylene carbonate 78.71
    cyrene 125.49
    2-ethoxyethyl acetate 44.52
    2-ethylhexyl acetate 31.62
    1,2,4-trichlorobenzene 35.05
    4-methylpyridine 57.17
    dibutyl ether 9.77
    2,6-dimethyl-4-heptanol 18.48
    DEF 74.02
    dimethyl isosorbide 141.51
    tetrachloroethylene 41.79
    eugenol 65.47
    triacetin 46.44
    span 80 76.48
    1,4-butanediol 94.74
    1,1-dichloroethane 17.0
    2-methyl-1-pentanol 49.42
    methyl formate 109.29
    2-methyl-1-butanol 57.37
    n-decane 1.22
    butyronitrile 21.62
    3,7-dimethyl-1-octanol 23.81
    1-chlorooctane 6.53
    1-chlorotetradecane 2.46
    n-nonane 1.14
    undecane 0.9
    tert-butylcyclohexane 2.41
    cyclooctane 1.59
    cyclopentanol 138.39
    tetrahydropyran 68.85
    tert-amyl methyl ether 20.55
    2,5,8-trioxanonane 90.22
    1-hexene 6.99
    2-isopropoxyethanol 81.02
    2,2,2-trifluoroethanol 62.8
    methyl butyrate 36.45

    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