3-(Aminomethyl)pentan-3-ol

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  • Identifiers

    CAS number
    57728-32-2

    Molecular formula
    C6H15NO

    SMILES
    CCC(CC)(CN)O

  • Odor profile

    Fragrance
    Fishy 46.61%
    Odorless 33.26%
    Cheesy 33.1%
    Sweet 30.86%
    Cooling 28.03%
    Oily 27.45%
    Mint 27.38%
    Musty 25.62%
    Ripe 25.18%
    Alcoholic 22.21%

     

    Flavor
    Sulfurous 36.17%
    Fishy 26.59%
    Onion 25.99%
    Sweet 24.76%
    Oily 24.0%
    Fruity 23.95%
    Mild 23.76%
    Meaty 22.82%
    Green 22.35%
    Herbal 22.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.5 (weak base)

    Molecular weight
    117.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    179°C

    Flash point

    • 73.9 ˚C est.

  • Synonyms

    • 3-(aminomethyl)pentan-3-ol
    • 57728-32-2
    • SCHEMBL8366
    • OFAPYHPFMXHSQJ-UHFFFAOYSA-N
    • ALBB-032356
    • MFCD09907227
    • AKOS009469409
    • LS-11978
    • CS-0252289
    • EN300-59685
    • G58055
    • Z419084794

  • Applications

    3-(Aminomethyl)pentan-3-ol (CAS 57728-32-2) is primarily used as an intermediate in pharmaceutical and fine chemical synthesis, and as a chiral building block for amino alcohols and related motifs. It also serves as a functional monomer or additive in polymer and plastics manufacturing, and as a reactive amine component in coating and adhesive formulations. Additionally, it may be evaluated for agrochemical and specialty chemical syntheses, and can be used as an intermediate for linking or attaching active ingredients in cosmetics/personal care formulations, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 249.93
    methanol 591.75
    isopropanol 125.37
    water 52.42
    ethyl acetate 40.96
    n-propanol 189.59
    acetone 33.13
    n-butanol 168.22
    acetonitrile 54.71
    DMF 66.2
    toluene 9.75
    isobutanol 124.43
    1,4-dioxane 122.77
    methyl acetate 47.45
    THF 200.75
    2-butanone 50.02
    n-pentanol 86.65
    sec-butanol 114.42
    n-hexane 7.47
    ethylene glycol 120.55
    NMP 132.34
    cyclohexane 10.17
    DMSO 125.43
    n-butyl acetate 58.73
    n-octanol 41.7
    chloroform 104.45
    n-propyl acetate 29.49
    acetic acid 307.93
    dichloromethane 75.41
    cyclohexanone 98.52
    propylene glycol 107.3
    isopropyl acetate 23.73
    DMAc 73.0
    2-ethoxyethanol 129.19
    isopentanol 107.63
    n-heptane 10.72
    ethyl formate 71.22
    1,2-dichloroethane 40.48
    n-hexanol 114.3
    2-methoxyethanol 243.36
    isobutyl acetate 21.18
    tetrachloromethane 39.14
    n-pentyl acetate 43.42
    transcutol 224.21
    n-heptanol 68.66
    ethylbenzene 6.97
    MIBK 23.01
    2-propoxyethanol 153.01
    tert-butanol 122.05
    MTBE 59.33
    2-butoxyethanol 106.36
    propionic acid 155.55
    o-xylene 12.54
    formic acid 332.64
    diethyl ether 44.01
    m-xylene 9.14
    p-xylene 11.7
    chlorobenzene 26.2
    dimethyl carbonate 8.49
    n-octane 4.89
    formamide 217.28
    cyclopentanone 131.83
    2-pentanone 34.58
    anisole 20.34
    cyclopentyl methyl ether 64.29
    gamma-butyrolactone 175.81
    1-methoxy-2-propanol 107.06
    pyridine 65.45
    3-pentanone 24.84
    furfural 151.98
    n-dodecane 3.0
    diethylene glycol 144.9
    diisopropyl ether 13.02
    tert-amyl alcohol 121.12
    acetylacetone 28.0
    n-hexadecane 3.16
    acetophenone 24.0
    methyl propionate 30.53
    isopentyl acetate 50.45
    trichloroethylene 78.82
    n-nonanol 37.21
    cyclohexanol 91.69
    benzyl alcohol 34.57
    2-ethylhexanol 58.32
    isooctanol 50.36
    dipropyl ether 34.94
    1,2-dichlorobenzene 27.95
    ethyl lactate 25.0
    propylene carbonate 85.74
    n-methylformamide 115.76
    2-pentanol 71.38
    n-pentane 9.2
    1-propoxy-2-propanol 98.54
    1-methoxy-2-propyl acetate 45.59
    2-(2-methoxypropoxy) propanol 61.85
    mesitylene 7.95
    ε-caprolactone 100.65
    p-cymene 14.35
    epichlorohydrin 106.12
    1,1,1-trichloroethane 41.6
    2-aminoethanol 206.57
    morpholine-4-carbaldehyde 118.59
    sulfolane 180.27
    2,2,4-trimethylpentane 8.3
    2-methyltetrahydrofuran 130.71
    n-hexyl acetate 45.95
    isooctane 4.55
    2-(2-butoxyethoxy)ethanol 91.46
    sec-butyl acetate 19.07
    tert-butyl acetate 30.64
    decalin 5.55
    glycerin 159.46
    diglyme 139.01
    acrylic acid 130.66
    isopropyl myristate 17.95
    n-butyric acid 188.51
    acetyl acetate 26.85
    di(2-ethylhexyl) phthalate 27.28
    ethyl propionate 20.42
    nitromethane 146.67
    1,2-diethoxyethane 58.7
    benzonitrile 39.19
    trioctyl phosphate 22.79
    1-bromopropane 27.66
    gamma-valerolactone 167.61
    n-decanol 26.15
    triethyl phosphate 24.25
    4-methyl-2-pentanol 38.55
    propionitrile 58.1
    vinylene carbonate 66.13
    1,1,2-trichlorotrifluoroethane 130.76
    DMS 23.24
    cumene 9.08
    2-octanol 35.7
    2-hexanone 30.76
    octyl acetate 25.02
    limonene 23.21
    1,2-dimethoxyethane 109.34
    ethyl orthosilicate 26.76
    tributyl phosphate 25.7
    diacetone alcohol 49.91
    N,N-dimethylaniline 17.67
    acrylonitrile 62.57
    aniline 46.57
    1,3-propanediol 234.02
    bromobenzene 18.23
    dibromomethane 50.25
    1,1,2,2-tetrachloroethane 73.74
    2-methyl-cyclohexyl acetate 39.41
    tetrabutyl urea 26.73
    diisobutyl methanol 26.88
    2-phenylethanol 45.04
    styrene 7.78
    dioctyl adipate 27.46
    dimethyl sulfate 21.78
    ethyl butyrate 39.45
    methyl lactate 32.72
    butyl lactate 46.79
    diethyl carbonate 24.52
    propanediol butyl ether 74.12
    triethyl orthoformate 38.55
    p-tert-butyltoluene 14.06
    methyl 4-tert-butylbenzoate 41.67
    morpholine 151.47
    tert-butylamine 81.46
    n-dodecanol 19.29
    dimethoxymethane 36.13
    ethylene carbonate 57.4
    cyrene 58.6
    2-ethoxyethyl acetate 47.06
    2-ethylhexyl acetate 40.89
    1,2,4-trichlorobenzene 35.06
    4-methylpyridine 47.29
    dibutyl ether 27.62
    2,6-dimethyl-4-heptanol 26.88
    DEF 41.93
    dimethyl isosorbide 93.32
    tetrachloroethylene 80.48
    eugenol 47.43
    triacetin 40.88
    span 80 69.75
    1,4-butanediol 91.77
    1,1-dichloroethane 34.38
    2-methyl-1-pentanol 71.42
    methyl formate 64.29
    2-methyl-1-butanol 113.2
    n-decane 5.35
    butyronitrile 62.03
    3,7-dimethyl-1-octanol 37.6
    1-chlorooctane 16.89
    1-chlorotetradecane 6.73
    n-nonane 5.19
    undecane 3.78
    tert-butylcyclohexane 6.43
    cyclooctane 4.36
    cyclopentanol 127.65
    tetrahydropyran 94.6
    tert-amyl methyl ether 46.67
    2,5,8-trioxanonane 103.33
    1-hexene 17.02
    2-isopropoxyethanol 70.7
    2,2,2-trifluoroethanol 113.56
    methyl butyrate 35.32

    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