3-(Benzylamino)propanol

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  • Identifiers

    CAS number
    4720-29-0

    Molecular formula
    C10H15NO

    SMILES
    C1=CC=C(C=C1)CNCCCO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 59.52%
    Cheesy 35.94%
    Sweet 34.36%
    Ripe 30.9%
    Animal 28.61%
    Odorless 22.8%
    Meaty 21.62%
    Savory 20.06%
    Oily 20.04%
    Pungent 18.54%

     

    Flavor
    Sweet 53.77%
    Floral 38.63%
    Mild 38.07%
    Sulfurous 29.46%
    Fruity 26.09%
    Bitter 25.16%
    Rose 24.96%
    Green 24.29%
    Meaty 23.88%
    Fatty 23.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.25 (neutral)

    Molecular weight
    165.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    285°C

    Flash point

    • 143.61 ˚C est.

  • Synonyms

    • 3-(Benzylamino)propanol
    • EINECS 225-210-1
    • NSC 17283
    • DTXSID00197065
    • RefChem:494261
    • DTXCID10119556
    • 225-210-1
    • 4720-29-0
    • 3-(benzylamino)propan-1-ol
    • 3-(Benzylamino)-1-propanol
    • N-BENZYL-3-AMINOPROPAN-1-OL
    • N-Benzyl-3-aminopropanol
    • MFCD00020622
    • 3-BENZYLAMINO-1-PROPANOL
    • 3-[benzylamino]propan-1-ol
    • 1-Propanol, 3-[(phenylmethyl)amino]-
    • N-Benzyl-3-amino-1-propanol
    • NSC17283
    • 3-Benzylaminopropanol
    • 3-(N-benzylamino)propanol
    • 3-benzylamino-propan-1-ol
    • Cambridge id 5116282
    • SCHEMBL304695
    • SCHEMBL457444
    • SCHEMBL10501809
    • SCHEMBL15514184
    • JBA57944
    • NSC-17283
    • SBB055297
    • AKOS002657999
    • AC-7182
    • SB76329
    • AS-31242
    • DA-23282
    • SY004678
    • DB-005458
    • CS-0067773
    • NS00031670
    • ST50949928
    • EN300-111943
    • F068097
    • Z57079457
    • 4720-29-0

  • Applications

    3-(Benzylamino)propanol is typically used as a versatile building block in organic synthesis, providing both a primary amine and a terminal alcohol for further functionalization. In pharmaceutical development it is commonly evaluated as an amino-alcohol scaffold precursor for the synthesis of more complex drug-like molecules. In polymer and coatings chemistry it can act as a reactive intermediate for polyurethane/urea systems, contributing to crosslinking and adhesion due to its amine and hydroxyl functionalities. It may be used as a fragrance/intermediate in perfumery and as a precursor to amino-alcohol derivatives in cosmetics/personal care formulations. Depending on the route, it can serve as a starting material in other industrial syntheses, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 853.84
    methanol 2040.95
    isopropanol 298.98
    water 25.06
    ethyl acetate 202.36
    n-propanol 608.05
    acetone 282.46
    n-butanol 393.54
    acetonitrile 138.99
    DMF 953.48
    toluene 35.66
    isobutanol 336.37
    1,4-dioxane 335.35
    methyl acetate 148.39
    THF 378.57
    2-butanone 151.65
    n-pentanol 255.3
    sec-butanol 195.7
    n-hexane 6.95
    ethylene glycol 833.24
    NMP 461.34
    cyclohexane 12.71
    DMSO 2029.14
    n-butyl acetate 143.41
    n-octanol 43.46
    chloroform 215.76
    n-propyl acetate 150.53
    acetic acid 1626.78
    dichloromethane 158.19
    cyclohexanone 333.47
    propylene glycol 593.65
    isopropyl acetate 96.58
    DMAc 552.01
    2-ethoxyethanol 657.35
    isopentanol 267.5
    n-heptane 10.03
    ethyl formate 248.15
    1,2-dichloroethane 160.82
    n-hexanol 249.59
    2-methoxyethanol 1275.34
    isobutyl acetate 88.31
    tetrachloromethane 42.54
    n-pentyl acetate 50.28
    transcutol 885.41
    n-heptanol 78.17
    ethylbenzene 14.8
    MIBK 89.95
    2-propoxyethanol 503.9
    tert-butanol 342.32
    MTBE 99.83
    2-butoxyethanol 203.42
    propionic acid 699.14
    o-xylene 30.18
    formic acid 1291.24
    diethyl ether 74.62
    m-xylene 33.09
    p-xylene 20.21
    chlorobenzene 73.53
    dimethyl carbonate 103.56
    n-octane 2.97
    formamide 1239.72
    cyclopentanone 422.99
    2-pentanone 158.33
    anisole 64.77
    cyclopentyl methyl ether 198.2
    gamma-butyrolactone 549.35
    1-methoxy-2-propanol 593.44
    pyridine 257.96
    3-pentanone 104.57
    furfural 479.54
    n-dodecane 2.3
    diethylene glycol 617.89
    diisopropyl ether 25.48
    tert-amyl alcohol 196.32
    acetylacetone 199.48
    n-hexadecane 2.49
    acetophenone 88.15
    methyl propionate 213.66
    isopentyl acetate 97.0
    trichloroethylene 360.59
    n-nonanol 38.81
    cyclohexanol 256.09
    benzyl alcohol 130.45
    2-ethylhexanol 98.35
    isooctanol 56.4
    dipropyl ether 96.91
    1,2-dichlorobenzene 74.81
    ethyl lactate 128.68
    propylene carbonate 261.37
    n-methylformamide 907.41
    2-pentanol 149.85
    n-pentane 5.98
    1-propoxy-2-propanol 278.25
    1-methoxy-2-propyl acetate 160.55
    2-(2-methoxypropoxy) propanol 128.05
    mesitylene 21.83
    ε-caprolactone 280.52
    p-cymene 18.94
    epichlorohydrin 415.07
    1,1,1-trichloroethane 102.11
    2-aminoethanol 1129.0
    morpholine-4-carbaldehyde 489.32
    sulfolane 667.73
    2,2,4-trimethylpentane 5.84
    2-methyltetrahydrofuran 219.53
    n-hexyl acetate 62.07
    isooctane 5.18
    2-(2-butoxyethoxy)ethanol 209.99
    sec-butyl acetate 65.3
    tert-butyl acetate 97.8
    decalin 6.37
    glycerin 895.94
    diglyme 418.93
    acrylic acid 648.82
    isopropyl myristate 22.0
    n-butyric acid 824.09
    acetyl acetate 131.43
    di(2-ethylhexyl) phthalate 40.43
    ethyl propionate 105.45
    nitromethane 1269.98
    1,2-diethoxyethane 126.83
    benzonitrile 97.38
    trioctyl phosphate 28.83
    1-bromopropane 43.37
    gamma-valerolactone 578.77
    n-decanol 29.76
    triethyl phosphate 51.0
    4-methyl-2-pentanol 77.37
    propionitrile 134.42
    vinylene carbonate 229.02
    1,1,2-trichlorotrifluoroethane 649.49
    DMS 65.74
    cumene 15.59
    2-octanol 29.7
    2-hexanone 113.76
    octyl acetate 31.9
    limonene 32.93
    1,2-dimethoxyethane 487.95
    ethyl orthosilicate 52.46
    tributyl phosphate 37.15
    diacetone alcohol 197.17
    N,N-dimethylaniline 51.12
    acrylonitrile 231.31
    aniline 169.0
    1,3-propanediol 990.89
    bromobenzene 52.72
    dibromomethane 86.35
    1,1,2,2-tetrachloroethane 339.72
    2-methyl-cyclohexyl acetate 71.73
    tetrabutyl urea 48.79
    diisobutyl methanol 43.43
    2-phenylethanol 114.1
    styrene 22.7
    dioctyl adipate 45.42
    dimethyl sulfate 193.85
    ethyl butyrate 111.62
    methyl lactate 240.77
    butyl lactate 83.25
    diethyl carbonate 65.2
    propanediol butyl ether 164.78
    triethyl orthoformate 80.54
    p-tert-butyltoluene 19.32
    methyl 4-tert-butylbenzoate 75.34
    morpholine 552.66
    tert-butylamine 137.55
    n-dodecanol 24.0
    dimethoxymethane 369.72
    ethylene carbonate 207.28
    cyrene 139.58
    2-ethoxyethyl acetate 89.51
    2-ethylhexyl acetate 68.64
    1,2,4-trichlorobenzene 92.29
    4-methylpyridine 159.91
    dibutyl ether 35.51
    2,6-dimethyl-4-heptanol 43.43
    DEF 334.28
    dimethyl isosorbide 175.27
    tetrachloroethylene 304.47
    eugenol 96.86
    triacetin 89.02
    span 80 121.07
    1,4-butanediol 403.56
    1,1-dichloroethane 77.99
    2-methyl-1-pentanol 158.44
    methyl formate 491.12
    2-methyl-1-butanol 255.67
    n-decane 3.61
    butyronitrile 135.23
    3,7-dimethyl-1-octanol 47.53
    1-chlorooctane 15.64
    1-chlorotetradecane 6.91
    n-nonane 3.34
    undecane 2.69
    tert-butylcyclohexane 6.53
    cyclooctane 5.04
    cyclopentanol 291.21
    tetrahydropyran 202.72
    tert-amyl methyl ether 76.07
    2,5,8-trioxanonane 255.25
    1-hexene 26.02
    2-isopropoxyethanol 288.51
    2,2,2-trifluoroethanol 414.25
    methyl butyrate 186.56

    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