2-Benzyloxypropane

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  • Identifiers

    CAS number
    937-54-2

    Molecular formula
    C10H14O

    SMILES
    CC(C)OCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 78.23%
    Green 68.64%
    Floral 61.18%
    Sweet 50.65%
    Rose 39.05%
    Fresh 36.73%
    Ethereal 35.85%
    Almond 34.94%
    Herbal 33.95%
    Earthy 32.56%

     

    Flavor
    Floral 63.43%
    Green 56.79%
    Fruity 49.39%
    Sweet 43.68%
    Earthy 40.53%
    Rose 40.06%
    Spicy 37.41%
    Bitter 29.31%
    Hyacinth 28.56%
    Tropical 26.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.81 (neutral)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    196°C

    Flash point

    • 60.03 ˚C est.

  • Synonyms

    • (isopropoxymethyl)benzene
    • 2-benzyloxypropane
    • 1-Methyl-4-(1-methylethoxy)benzene
    • 937-54-2
    • DTXSID20324270
    • propan-2-yloxymethylbenzene
    • 4-Isopropoxytoluene
    • NSC406197
    • benzyl isopropyl ether
    • Isopropyl p-tolyl ether
    • p-Cresyl isopropyl ether
    • SCHEMBL15003
    • [(1-methylethoxy)methyl]benzene
    • DTXCID50275387
    • NTUCQKRAQSWLOP-UHFFFAOYSA-N
    • Benzene, [(1-methylethoxy)methyl]-
    • NSC-406197

  • Applications

    2-Benzyloxypropane (CAS 937-54-2) is primarily used as an organic synthesis intermediate and as a benzyl-protected alcohol building block. In synthetic chemistry it serves to mask alcohol functionality as a benzyl ether, enabling selective transformations and later deprotection to reveal the free OH group. It is commonly employed as a precursor for benzyl-protected intermediates in pharmaceutical and fine chemical manufacture, and can be used in polymer and coating chemistries where temporary protection of alcohols is advantageous. The compound may also appear in fragrance and flavor chemistry as a route to benzyl-containing fragments. Handling is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 587.62
    methanol 336.44
    isopropanol 534.63
    water 0.89
    ethyl acetate 601.04
    n-propanol 537.43
    acetone 457.86
    n-butanol 559.63
    acetonitrile 495.85
    DMF 298.66
    toluene 375.99
    isobutanol 424.1
    1,4-dioxane 1244.02
    methyl acetate 526.38
    THF 906.36
    2-butanone 488.39
    n-pentanol 411.05
    sec-butanol 530.6
    n-hexane 380.76
    ethylene glycol 131.74
    NMP 268.67
    cyclohexane 445.47
    DMSO 470.11
    n-butyl acetate 616.67
    n-octanol 288.03
    chloroform 2599.37
    n-propyl acetate 345.07
    acetic acid 437.63
    dichloromethane 1756.43
    cyclohexanone 588.22
    propylene glycol 270.99
    isopropyl acetate 298.56
    DMAc 350.42
    2-ethoxyethanol 425.21
    isopentanol 441.25
    n-heptane 331.21
    ethyl formate 281.82
    1,2-dichloroethane 869.74
    n-hexanol 684.32
    2-methoxyethanol 479.2
    isobutyl acetate 249.47
    tetrachloromethane 430.33
    n-pentyl acetate 249.69
    transcutol 1465.31
    n-heptanol 253.89
    ethylbenzene 234.05
    MIBK 227.55
    2-propoxyethanol 651.8
    tert-butanol 643.48
    MTBE 561.47
    2-butoxyethanol 332.18
    propionic acid 417.99
    o-xylene 240.38
    formic acid 80.76
    diethyl ether 701.22
    m-xylene 216.25
    p-xylene 294.13
    chlorobenzene 456.04
    dimethyl carbonate 131.73
    n-octane 91.44
    formamide 101.71
    cyclopentanone 497.79
    2-pentanone 366.95
    anisole 373.95
    cyclopentyl methyl ether 463.03
    gamma-butyrolactone 514.32
    1-methoxy-2-propanol 437.09
    pyridine 767.59
    3-pentanone 332.53
    furfural 496.22
    n-dodecane 64.38
    diethylene glycol 404.39
    diisopropyl ether 218.11
    tert-amyl alcohol 515.47
    acetylacetone 339.68
    n-hexadecane 70.74
    acetophenone 294.64
    methyl propionate 350.47
    isopentyl acetate 455.78
    trichloroethylene 1492.61
    n-nonanol 248.42
    cyclohexanol 492.66
    benzyl alcohol 288.52
    2-ethylhexanol 430.7
    isooctanol 195.04
    dipropyl ether 670.13
    1,2-dichlorobenzene 392.84
    ethyl lactate 185.37
    propylene carbonate 410.02
    n-methylformamide 153.01
    2-pentanol 390.56
    n-pentane 248.5
    1-propoxy-2-propanol 555.52
    1-methoxy-2-propyl acetate 409.18
    2-(2-methoxypropoxy) propanol 353.55
    mesitylene 149.33
    ε-caprolactone 527.98
    p-cymene 181.25
    epichlorohydrin 730.08
    1,1,1-trichloroethane 1010.29
    2-aminoethanol 283.62
    morpholine-4-carbaldehyde 433.97
    sulfolane 511.56
    2,2,4-trimethylpentane 90.42
    2-methyltetrahydrofuran 756.65
    n-hexyl acetate 384.94
    isooctane 72.0
    2-(2-butoxyethoxy)ethanol 494.48
    sec-butyl acetate 248.94
    tert-butyl acetate 298.66
    decalin 152.1
    glycerin 238.89
    diglyme 794.73
    acrylic acid 317.39
    isopropyl myristate 187.82
    n-butyric acid 550.35
    acetyl acetate 335.67
    di(2-ethylhexyl) phthalate 163.3
    ethyl propionate 313.3
    nitromethane 424.65
    1,2-diethoxyethane 601.38
    benzonitrile 391.26
    trioctyl phosphate 117.43
    1-bromopropane 726.52
    gamma-valerolactone 548.52
    n-decanol 191.58
    triethyl phosphate 191.17
    4-methyl-2-pentanol 210.92
    propionitrile 453.88
    vinylene carbonate 369.66
    1,1,2-trichlorotrifluoroethane 574.21
    DMS 291.14
    cumene 161.48
    2-octanol 176.28
    2-hexanone 356.78
    octyl acetate 228.59
    limonene 290.18
    1,2-dimethoxyethane 698.91
    ethyl orthosilicate 199.07
    tributyl phosphate 157.16
    diacetone alcohol 295.35
    N,N-dimethylaniline 261.52
    acrylonitrile 409.69
    aniline 382.88
    1,3-propanediol 316.57
    bromobenzene 521.05
    dibromomethane 1334.18
    1,1,2,2-tetrachloroethane 1484.78
    2-methyl-cyclohexyl acetate 305.08
    tetrabutyl urea 192.96
    diisobutyl methanol 228.7
    2-phenylethanol 321.33
    styrene 307.37
    dioctyl adipate 257.08
    dimethyl sulfate 177.42
    ethyl butyrate 423.24
    methyl lactate 180.83
    butyl lactate 204.78
    diethyl carbonate 296.41
    propanediol butyl ether 304.41
    triethyl orthoformate 305.85
    p-tert-butyltoluene 175.59
    methyl 4-tert-butylbenzoate 268.44
    morpholine 1120.03
    tert-butylamine 538.51
    n-dodecanol 161.35
    dimethoxymethane 271.94
    ethylene carbonate 344.54
    cyrene 242.23
    2-ethoxyethyl acetate 305.89
    2-ethylhexyl acetate 388.98
    1,2,4-trichlorobenzene 434.85
    4-methylpyridine 570.7
    dibutyl ether 450.9
    2,6-dimethyl-4-heptanol 228.7
    DEF 352.69
    dimethyl isosorbide 454.11
    tetrachloroethylene 890.24
    eugenol 253.67
    triacetin 370.17
    span 80 357.35
    1,4-butanediol 171.51
    1,1-dichloroethane 1023.12
    2-methyl-1-pentanol 346.31
    methyl formate 131.28
    2-methyl-1-butanol 424.59
    n-decane 106.65
    butyronitrile 509.59
    3,7-dimethyl-1-octanol 264.47
    1-chlorooctane 263.27
    1-chlorotetradecane 118.62
    n-nonane 117.77
    undecane 78.41
    tert-butylcyclohexane 137.42
    cyclooctane 154.03
    cyclopentanol 403.83
    tetrahydropyran 1195.72
    tert-amyl methyl ether 397.3
    2,5,8-trioxanonane 563.25
    1-hexene 674.62
    2-isopropoxyethanol 330.46
    2,2,2-trifluoroethanol 136.67
    methyl butyrate 388.24

    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