(2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid

  • Identifiers

    Molecular formula
    C15H29NO4

    SMILES
    CC(C)[C@H]([C@H]([C@@H]([C@H](CC1CCCCC1)N)O)O)C(=O)O

  • Odor profile

    Fragrance
    Odorless 54.98%
    Cooling 43.6%
    Mint 35.8%
    Savory 23.42%
    Herbal 20.2%
    Oily 18.48%
    Milky 17.57%
    Fruity 17.26%
    Grapefruit 17.07%
    Fresh 16.98%

     

    Flavor
    Odorless 49.49%
    Bland 30.83%
    Bitter 30.08%
    Mild 29.55%
    Sweet-like 23.02%
    Cedarleaf 19.82%
    Yeasty 19.59%
    Sandalwood 19.36%
    Mentholic 19.21%
    Nitrile 19.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    4.92 (weak acid)

    Molecular weight
    287.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    449°C

    Flash point

    • 195.71 ˚C est.

  • Synonyms

    • (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid
    • (E)-carveol,(E)-p-mentha-6,8-dien-2-ol,trans-1-methyl-4-isoprpenyl-6-cyclohexen-2-ol
    • Q27458715
    • 5-amino-6-cyclohexyl-3,4-dihydroxy-2-isopropyl-hexanoic acid
  • Applications

    Explicitly, the compound, (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid, is viewed primarily as a chiral building block and synthetic intermediate in pharmaceutical and specialty chemical development; it can serve as a functional monomer or crosslinking component in specialized polymers and plastics, leveraging its multiple hydroxyl groups and amino functionality; in cosmetics and personal care, the diol and amino functionalities may be leveraged as a conditioning or humectant-like component in formulations; in coatings and inks, adhesives, and cleaning formulations, it may act as a functional additive or crosslinking agent; and in industrial manufacturing it is evaluated as a scaffold or precursor for catalyst systems in asymmetric synthesis. Its use is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.5
    methanol 41.53
    isopropanol 2.97
    water 6.32
    ethyl acetate 2.95
    n-propanol 4.0
    acetone 1.76
    n-butanol 3.34
    acetonitrile 1.15
    DMF 5.65
    toluene 1.82
    isobutanol 3.83
    1,4-dioxane 7.95
    methyl acetate 1.6
    THF 27.49
    2-butanone 1.86
    n-pentanol 3.37
    sec-butanol 2.35
    n-hexane 0.34
    ethylene glycol 27.34
    NMP 71.93
    cyclohexane 0.77
    DMSO 122.77
    n-butyl acetate 4.45
    n-octanol 1.82
    chloroform 3.69
    n-propyl acetate 2.58
    acetic acid 62.22
    dichloromethane 3.54
    cyclohexanone 17.34
    propylene glycol 24.39
    isopropyl acetate 3.64
    DMAc 17.23
    2-ethoxyethanol 22.96
    isopentanol 5.26
    n-heptane 0.44
    ethyl formate 3.66
    1,2-dichloroethane 3.42
    n-hexanol 7.41
    2-methoxyethanol 42.26
    isobutyl acetate 2.52
    tetrachloromethane 1.5
    n-pentyl acetate 3.14
    transcutol 45.76
    n-heptanol 4.79
    ethylbenzene 1.67
    MIBK 4.57
    2-propoxyethanol 34.19
    tert-butanol 6.06
    MTBE 1.44
    2-butoxyethanol 18.27
    propionic acid 15.39
    o-xylene 3.03
    formic acid 128.29
    diethyl ether 0.95
    m-xylene 3.49
    p-xylene 2.06
    chlorobenzene 2.47
    dimethyl carbonate 3.61
    n-octane 0.24
    formamide 67.94
    cyclopentanone 25.96
    2-pentanone 2.98
    anisole 2.54
    cyclopentyl methyl ether 12.01
    gamma-butyrolactone 46.78
    1-methoxy-2-propanol 23.5
    pyridine 5.31
    3-pentanone 2.26
    furfural 41.6
    n-dodecane 0.13
    diethylene glycol 65.36
    diisopropyl ether 1.05
    tert-amyl alcohol 5.32
    acetylacetone 10.39
    n-hexadecane 0.15
    acetophenone 6.97
    methyl propionate 3.78
    isopentyl acetate 6.57
    trichloroethylene 8.24
    n-nonanol 1.97
    cyclohexanol 9.72
    benzyl alcohol 8.18
    2-ethylhexanol 4.43
    isooctanol 4.45
    dipropyl ether 1.98
    1,2-dichlorobenzene 3.96
    ethyl lactate 8.43
    propylene carbonate 21.69
    n-methylformamide 10.39
    2-pentanol 2.51
    n-pentane 0.22
    1-propoxy-2-propanol 18.25
    1-methoxy-2-propyl acetate 14.42
    2-(2-methoxypropoxy) propanol 16.23
    mesitylene 2.99
    ε-caprolactone 23.04
    p-cymene 2.55
    epichlorohydrin 22.87
    1,1,1-trichloroethane 2.21
    2-aminoethanol 31.59
    morpholine-4-carbaldehyde 45.08
    sulfolane 156.89
    2,2,4-trimethylpentane 0.36
    2-methyltetrahydrofuran 11.65
    n-hexyl acetate 3.72
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 24.26
    sec-butyl acetate 2.34
    tert-butyl acetate 6.8
    decalin 0.71
    glycerin 81.88
    diglyme 28.73
    acrylic acid 23.4
    isopropyl myristate 1.45
    n-butyric acid 17.71
    acetyl acetate 4.65
    di(2-ethylhexyl) phthalate 4.96
    ethyl propionate 2.74
    nitromethane 23.71
    1,2-diethoxyethane 3.72
    benzonitrile 4.14
    trioctyl phosphate 3.78
    1-bromopropane 1.01
    gamma-valerolactone 56.62
    n-decanol 1.53
    triethyl phosphate 4.24
    4-methyl-2-pentanol 3.45
    propionitrile 1.07
    vinylene carbonate 14.95
    1,1,2-trichlorotrifluoroethane 60.71
    DMS 5.43
    cumene 1.98
    2-octanol 2.22
    2-hexanone 2.31
    octyl acetate 2.12
    limonene 3.22
    1,2-dimethoxyethane 10.51
    ethyl orthosilicate 4.09
    tributyl phosphate 3.36
    diacetone alcohol 23.79
    N,N-dimethylaniline 3.92
    acrylonitrile 2.29
    aniline 4.93
    1,3-propanediol 32.45
    bromobenzene 2.1
    dibromomethane 2.37
    1,1,2,2-tetrachloroethane 8.43
    2-methyl-cyclohexyl acetate 7.23
    tetrabutyl urea 4.5
    diisobutyl methanol 3.4
    2-phenylethanol 10.78
    styrene 1.19
    dioctyl adipate 2.97
    dimethyl sulfate 16.53
    ethyl butyrate 3.37
    methyl lactate 16.79
    butyl lactate 9.6
    diethyl carbonate 2.29
    propanediol butyl ether 19.14
    triethyl orthoformate 4.0
    p-tert-butyltoluene 2.61
    methyl 4-tert-butylbenzoate 12.38
    morpholine 11.68
    tert-butylamine 2.1
    n-dodecanol 1.18
    dimethoxymethane 6.84
    ethylene carbonate 11.59
    cyrene 41.02
    2-ethoxyethyl acetate 5.88
    2-ethylhexyl acetate 4.33
    1,2,4-trichlorobenzene 5.72
    4-methylpyridine 3.92
    dibutyl ether 0.9
    2,6-dimethyl-4-heptanol 3.4
    DEF 5.38
    dimethyl isosorbide 43.12
    tetrachloroethylene 9.29
    eugenol 14.71
    triacetin 7.81
    span 80 17.78
    1,4-butanediol 14.38
    1,1-dichloroethane 1.3
    2-methyl-1-pentanol 4.75
    methyl formate 8.76
    2-methyl-1-butanol 4.21
    n-decane 0.21
    butyronitrile 1.35
    3,7-dimethyl-1-octanol 2.65
    1-chlorooctane 0.7
    1-chlorotetradecane 0.35
    n-nonane 0.19
    undecane 0.16
    tert-butylcyclohexane 0.52
    cyclooctane 0.57
    cyclopentanol 14.73
    tetrahydropyran 4.37
    tert-amyl methyl ether 2.04
    2,5,8-trioxanonane 24.71
    1-hexene 0.65
    2-isopropoxyethanol 13.44
    2,2,2-trifluoroethanol 30.09
    methyl butyrate 3.77

    Scent© AI

1 of 4
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