3-Benzyloxy-2,2-dimethylpropanal

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  • Identifiers

    CAS number
    38216-93-2

    Molecular formula
    C12H16O2

    SMILES
    CC(C)(COCC1=CC=CC=C1)C=O

  • Odor profile

    Fragrance
    Floral 87.52%
    Green 79.38%
    Fresh 49.83%
    Aldehydic 49.21%
    Spicy 41.45%
    Lily 40.83%
    Hyacinth 38.49%
    Ozone 38.12%
    Muguet 37.14%
    Herbal 37.13%

     

    Flavor
    Fruity 73.23%
    Floral 58.49%
    Green 53.87%
    Sweet 44.31%
    Rose 33.42%
    Earthy 33.1%
    Herbal 29.79%
    Spicy 28.68%
    Jasmin 28.27%
    Berry 28.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.18 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 113.3 ˚C est.

  • Synonyms

    • 38216-93-2
    • 3-(benzyloxy)-2,2-dimethylpropanal
    • 3-benzyloxy-2,2-dimethylpropanal
    • 2,2-dimethyl-3-phenylmethoxypropanal
    • 3-benzyloxy-2,2-dimethylpropionaldehyde
    • DTXSID20473095
    • 2,2-Dimethyl-3-(phenylmethoxy)-propionaldehyde
    • SCHEMBL4889465
    • DTXCID70423909
    • QBKRNECSGGPIJH-UHFFFAOYSA-N
    • 3-Benzyloxy-2,2-dimethyl-propionaldehyde
    • DB-086984
    • A1-03975

  • Applications

    3-Benzyloxy-2,2-dimethylpropanal (CAS 38216-93-2) is primarily used as an intermediate in organic synthesis and often acts as a protecting-group precursor for hydroxyl functionalities in fine chemicals and pharmaceutical synthesis; it is also viewed as a fragrance intermediate in perfumery and can serve as a building block for cosmetics/personal care formulations and for fragrance components in household products, as well as a starting material in industrial manufacturing to enable subsequent chemical transformations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 788.22
    methanol 1152.77
    isopropanol 312.22
    water 4.78
    ethyl acetate 676.24
    n-propanol 417.52
    acetone 322.44
    n-butanol 453.77
    acetonitrile 465.09
    DMF 300.88
    toluene 213.83
    isobutanol 250.96
    1,4-dioxane 713.47
    methyl acetate 458.46
    THF 575.99
    2-butanone 313.79
    n-pentanol 356.32
    sec-butanol 271.28
    n-hexane 59.09
    ethylene glycol 204.66
    NMP 181.74
    cyclohexane 61.57
    DMSO 267.6
    n-butyl acetate 500.8
    n-octanol 134.31
    chloroform 1358.95
    n-propyl acetate 425.14
    acetic acid 1048.15
    dichloromethane 1102.11
    cyclohexanone 348.53
    propylene glycol 237.35
    isopropyl acetate 373.07
    DMAc 333.65
    2-ethoxyethanol 720.86
    isopentanol 385.36
    n-heptane 53.24
    ethyl formate 471.58
    1,2-dichloroethane 595.16
    n-hexanol 399.99
    2-methoxyethanol 886.21
    isobutyl acetate 295.26
    tetrachloromethane 131.94
    n-pentyl acetate 184.69
    transcutol 1958.45
    n-heptanol 161.03
    ethylbenzene 159.15
    MIBK 258.44
    2-propoxyethanol 677.42
    tert-butanol 390.68
    MTBE 355.22
    2-butoxyethanol 359.87
    propionic acid 409.71
    o-xylene 137.52
    formic acid 531.3
    diethyl ether 512.92
    m-xylene 153.35
    p-xylene 185.49
    chlorobenzene 276.35
    dimethyl carbonate 155.88
    n-octane 18.1
    formamide 509.68
    cyclopentanone 263.97
    2-pentanone 332.67
    anisole 363.68
    cyclopentyl methyl ether 269.98
    gamma-butyrolactone 371.48
    1-methoxy-2-propanol 534.95
    pyridine 460.66
    3-pentanone 217.58
    furfural 544.36
    n-dodecane 13.3
    diethylene glycol 532.37
    diisopropyl ether 149.48
    tert-amyl alcohol 317.54
    acetylacetone 368.44
    n-hexadecane 14.53
    acetophenone 307.99
    methyl propionate 325.57
    isopentyl acetate 427.22
    trichloroethylene 1183.07
    n-nonanol 124.01
    cyclohexanol 237.25
    benzyl alcohol 301.2
    2-ethylhexanol 273.51
    isooctanol 143.3
    dipropyl ether 321.47
    1,2-dichlorobenzene 278.69
    ethyl lactate 232.38
    propylene carbonate 368.44
    n-methylformamide 313.98
    2-pentanol 291.28
    n-pentane 48.87
    1-propoxy-2-propanol 476.42
    1-methoxy-2-propyl acetate 455.38
    2-(2-methoxypropoxy) propanol 338.93
    mesitylene 107.91
    ε-caprolactone 359.52
    p-cymene 118.01
    epichlorohydrin 651.52
    1,1,1-trichloroethane 501.48
    2-aminoethanol 378.02
    morpholine-4-carbaldehyde 518.4
    sulfolane 257.5
    2,2,4-trimethylpentane 35.06
    2-methyltetrahydrofuran 369.94
    n-hexyl acetate 248.69
    isooctane 33.94
    2-(2-butoxyethoxy)ethanol 508.74
    sec-butyl acetate 320.11
    tert-butyl acetate 377.97
    decalin 49.02
    glycerin 332.71
    diglyme 922.53
    acrylic acid 366.83
    isopropyl myristate 103.5
    n-butyric acid 632.5
    acetyl acetate 431.46
    di(2-ethylhexyl) phthalate 116.01
    ethyl propionate 347.92
    nitromethane 867.92
    1,2-diethoxyethane 591.35
    benzonitrile 300.76
    trioctyl phosphate 74.53
    1-bromopropane 342.78
    gamma-valerolactone 522.84
    n-decanol 89.42
    triethyl phosphate 158.56
    4-methyl-2-pentanol 198.63
    propionitrile 352.03
    vinylene carbonate 397.76
    1,1,2-trichlorotrifluoroethane 629.48
    DMS 223.75
    cumene 123.72
    2-octanol 87.45
    2-hexanone 301.8
    octyl acetate 127.18
    limonene 151.75
    1,2-dimethoxyethane 886.51
    ethyl orthosilicate 173.82
    tributyl phosphate 108.85
    diacetone alcohol 364.08
    N,N-dimethylaniline 229.44
    acrylonitrile 397.68
    aniline 244.8
    1,3-propanediol 508.37
    bromobenzene 279.69
    dibromomethane 683.8
    1,1,2,2-tetrachloroethane 894.18
    2-methyl-cyclohexyl acetate 275.8
    tetrabutyl urea 113.12
    diisobutyl methanol 157.69
    2-phenylethanol 298.21
    styrene 202.47
    dioctyl adipate 168.0
    dimethyl sulfate 142.52
    ethyl butyrate 413.29
    methyl lactate 199.56
    butyl lactate 184.2
    diethyl carbonate 301.54
    propanediol butyl ether 271.23
    triethyl orthoformate 287.42
    p-tert-butyltoluene 113.02
    methyl 4-tert-butylbenzoate 224.87
    morpholine 727.57
    tert-butylamine 275.79
    n-dodecanol 70.45
    dimethoxymethane 379.22
    ethylene carbonate 337.22
    cyrene 252.19
    2-ethoxyethyl acetate 313.99
    2-ethylhexyl acetate 325.56
    1,2,4-trichlorobenzene 298.24
    4-methylpyridine 383.23
    dibutyl ether 201.33
    2,6-dimethyl-4-heptanol 157.69
    DEF 327.22
    dimethyl isosorbide 460.87
    tetrachloroethylene 560.41
    eugenol 261.36
    triacetin 285.31
    span 80 252.04
    1,4-butanediol 253.36
    1,1-dichloroethane 560.1
    2-methyl-1-pentanol 326.58
    methyl formate 287.21
    2-methyl-1-butanol 307.6
    n-decane 23.13
    butyronitrile 448.28
    3,7-dimethyl-1-octanol 173.5
    1-chlorooctane 98.13
    1-chlorotetradecane 38.34
    n-nonane 22.76
    undecane 16.39
    tert-butylcyclohexane 53.09
    cyclooctane 27.54
    cyclopentanol 153.86
    tetrahydropyran 482.19
    tert-amyl methyl ether 269.48
    2,5,8-trioxanonane 574.42
    1-hexene 196.65
    2-isopropoxyethanol 462.29
    2,2,2-trifluoroethanol 289.49
    methyl butyrate 454.68

    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