5-(Benzyloxy)pentan-1-ol

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  • Identifiers

    CAS number
    4541-15-5

    Molecular formula
    C12H18O2

    SMILES
    C1=CC=C(C=C1)COCCCCCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 56.66%
    Sweet 52.3%
    Rose 41.09%
    Floral 40.56%
    Balsamic 34.9%
    Almond 28.46%
    Bitter 27.82%
    Herbal 26.9%
    Mushroom 24.05%
    Ethereal 22.29%

     

    Flavor
    Sweet 61.98%
    Floral 49.56%
    Rose 45.65%
    Fruity 39.26%
    Balsam 37.96%
    Spicy 37.24%
    Earthy 34.31%
    Hyacinth 33.18%
    Honey 31.23%
    Musty 28.81%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.47 (neutral)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 144.26 ˚C est.

  • Synonyms

    • 5-(Benzyloxy)pentan-1-ol
    • RefChem:530779
    • 625-000-3
    • 5-Benzyloxy-1-pentanol
    • 4541-15-5
    • 5-benzyloxypentanol
    • 5-phenylmethoxypentan-1-ol
    • 1-Pentanol, 5-(benzyloxy)-
    • 1-Pentanol, 5-(phenylmethoxy)-
    • 5-benzyloxypentan-1-ol
    • MFCD00216583
    • 5-benzyloxy-pentan-1-ol
    • NSC5422
    • 5-phenylmethoxypentanol
    • 5-(Benzyloxy)-1-pentanol
    • 5-hydroxypentyl benzyl ether
    • 7-phenyl-6-oxaheptan-1-ol
    • SCHEMBL97794
    • SCHEMBL97795
    • 5-(Benzyloxy);pentan-1-ol
    • 5-(Benzyloxy)-1-pentanol #
    • 5-Benzyloxy-1-pentanol, 95%
    • DTXSID90277966
    • NSC-5422
    • AKOS015916525
    • CS-W010646
    • BP-22209
    • DA-05731
    • DS-11334
    • SY115703
    • 10.14272/RZVDPWSEPVHOPU-UHFFFAOYSA-N
    • A10053
    • EN300-218832
    • doi:10.14272/RZVDPWSEPVHOPU-UHFFFAOYSA-N
    • F541384
    • 4541-15-5

  • Applications

    5-(Benzyloxy)pentan-1-ol (CAS 4541-15-5) is primarily used as an organic synthesis building block, with the benzyl ether acting as a removable protecting group to enable selective transformations at the other end of the chain. It serves as a protected ω-hydroxyalkyl intermediate in pharmaceutical and agrochemical synthesis, and, after deprotection, can provide a diol-type functionality for downstream polymer chemistry (e.g., polyethers and polyurethanes). The compound is also employed as a versatile precursor in materials research and coatings/inks formulations where controlled hydroxyl functionality is required, and it may be used in fragrance or cosmetic chemistries as a masked hydroxy intermediate, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1971.04
    methanol 2877.23
    isopropanol 972.16
    water 1.37
    ethyl acetate 952.44
    n-propanol 1241.85
    acetone 683.49
    n-butanol 1044.66
    acetonitrile 809.1
    DMF 371.29
    toluene 146.23
    isobutanol 638.97
    1,4-dioxane 1437.85
    methyl acetate 538.96
    THF 1008.77
    2-butanone 473.77
    n-pentanol 648.43
    sec-butanol 670.56
    n-hexane 55.88
    ethylene glycol 377.04
    NMP 179.39
    cyclohexane 126.1
    DMSO 1808.31
    n-butyl acetate 466.13
    n-octanol 125.03
    chloroform 1444.66
    n-propyl acetate 498.08
    acetic acid 1314.05
    dichloromethane 1532.71
    cyclohexanone 592.12
    propylene glycol 462.8
    isopropyl acetate 358.33
    DMAc 307.64
    2-ethoxyethanol 1044.76
    isopentanol 660.48
    n-heptane 55.28
    ethyl formate 478.26
    1,2-dichloroethane 1163.89
    n-hexanol 492.96
    2-methoxyethanol 1686.47
    isobutyl acetate 266.07
    tetrachloromethane 136.16
    n-pentyl acetate 178.24
    transcutol 2314.53
    n-heptanol 158.44
    ethylbenzene 83.42
    MIBK 262.82
    2-propoxyethanol 751.19
    tert-butanol 851.04
    MTBE 480.07
    2-butoxyethanol 352.48
    propionic acid 638.54
    o-xylene 90.93
    formic acid 445.06
    diethyl ether 965.75
    m-xylene 97.28
    p-xylene 92.08
    chlorobenzene 237.41
    dimethyl carbonate 129.0
    n-octane 15.76
    formamide 555.57
    cyclopentanone 433.56
    2-pentanone 475.46
    anisole 228.62
    cyclopentyl methyl ether 425.97
    gamma-butyrolactone 557.94
    1-methoxy-2-propanol 861.66
    pyridine 675.1
    3-pentanone 294.86
    furfural 564.32
    n-dodecane 11.48
    diethylene glycol 655.62
    diisopropyl ether 148.23
    tert-amyl alcohol 491.77
    acetylacetone 422.48
    n-hexadecane 12.59
    acetophenone 207.69
    methyl propionate 435.69
    isopentyl acetate 326.25
    trichloroethylene 1364.13
    n-nonanol 113.48
    cyclohexanol 525.52
    benzyl alcohol 235.47
    2-ethylhexanol 239.47
    isooctanol 127.79
    dipropyl ether 424.41
    1,2-dichlorobenzene 216.34
    ethyl lactate 196.65
    propylene carbonate 359.55
    n-methylformamide 408.41
    2-pentanol 545.41
    n-pentane 54.32
    1-propoxy-2-propanol 520.85
    1-methoxy-2-propyl acetate 338.66
    2-(2-methoxypropoxy) propanol 265.53
    mesitylene 69.31
    ε-caprolactone 524.26
    p-cymene 62.89
    epichlorohydrin 921.08
    1,1,1-trichloroethane 500.99
    2-aminoethanol 768.98
    morpholine-4-carbaldehyde 505.83
    sulfolane 560.32
    2,2,4-trimethylpentane 25.7
    2-methyltetrahydrofuran 632.64
    n-hexyl acetate 214.09
    isooctane 23.52
    2-(2-butoxyethoxy)ethanol 441.3
    sec-butyl acetate 254.64
    tert-butyl acetate 297.33
    decalin 36.51
    glycerin 515.03
    diglyme 929.18
    acrylic acid 419.69
    isopropyl myristate 83.89
    n-butyric acid 1068.33
    acetyl acetate 367.05
    di(2-ethylhexyl) phthalate 81.38
    ethyl propionate 333.15
    nitromethane 1310.02
    1,2-diethoxyethane 661.69
    benzonitrile 242.68
    trioctyl phosphate 62.33
    1-bromopropane 548.93
    gamma-valerolactone 690.38
    n-decanol 82.24
    triethyl phosphate 125.28
    4-methyl-2-pentanol 221.96
    propionitrile 552.31
    vinylene carbonate 332.19
    1,1,2-trichlorotrifluoroethane 711.53
    DMS 166.64
    cumene 63.36
    2-octanol 78.66
    2-hexanone 374.21
    octyl acetate 99.48
    limonene 107.19
    1,2-dimethoxyethane 1212.22
    ethyl orthosilicate 134.69
    tributyl phosphate 87.13
    diacetone alcohol 329.4
    N,N-dimethylaniline 130.0
    acrylonitrile 513.93
    aniline 275.92
    1,3-propanediol 1032.98
    bromobenzene 218.3
    dibromomethane 977.67
    1,1,2,2-tetrachloroethane 1147.23
    2-methyl-cyclohexyl acetate 196.7
    tetrabutyl urea 105.18
    diisobutyl methanol 131.59
    2-phenylethanol 199.84
    styrene 120.36
    dioctyl adipate 141.23
    dimethyl sulfate 176.81
    ethyl butyrate 354.37
    methyl lactate 214.4
    butyl lactate 173.58
    diethyl carbonate 220.54
    propanediol butyl ether 282.94
    triethyl orthoformate 240.23
    p-tert-butyltoluene 59.03
    methyl 4-tert-butylbenzoate 160.92
    morpholine 1652.62
    tert-butylamine 483.12
    n-dodecanol 63.31
    dimethoxymethane 564.87
    ethylene carbonate 343.02
    cyrene 194.34
    2-ethoxyethyl acetate 276.64
    2-ethylhexyl acetate 230.89
    1,2,4-trichlorobenzene 231.64
    4-methylpyridine 390.52
    dibutyl ether 231.14
    2,6-dimethyl-4-heptanol 131.59
    DEF 476.29
    dimethyl isosorbide 336.28
    tetrachloroethylene 804.06
    eugenol 177.31
    triacetin 235.76
    span 80 226.33
    1,4-butanediol 382.42
    1,1-dichloroethane 757.62
    2-methyl-1-pentanol 399.57
    methyl formate 300.72
    2-methyl-1-butanol 558.51
    n-decane 20.97
    butyronitrile 640.18
    3,7-dimethyl-1-octanol 130.83
    1-chlorooctane 83.49
    1-chlorotetradecane 30.87
    n-nonane 20.79
    undecane 14.42
    tert-butylcyclohexane 32.48
    cyclooctane 33.51
    cyclopentanol 392.08
    tetrahydropyran 1304.82
    tert-amyl methyl ether 278.07
    2,5,8-trioxanonane 538.64
    1-hexene 236.61
    2-isopropoxyethanol 515.33
    2,2,2-trifluoroethanol 260.88
    methyl butyrate 494.17

    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