1,1-Dimethoxy-3-phenylpropane

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  • Identifiers

    CAS number
    30076-98-3

    Molecular formula
    C11H16O2

    SMILES
    COC(CCC1=CC=CC=C1)OC

  • Odor profile

    Fragrance
    Green 92.26%
    Floral 79.45%
    Fruity 59.71%
    Earthy 57.77%
    Hyacinth 55.54%
    Rose 50.37%
    Leafy 50.3%
    Fresh 44.93%
    Sweet 42.64%
    Mushroom 41.07%

     

    Flavor
    Green 85.78%
    Floral 75.96%
    Bitter 50.81%
    Rose 49.68%
    Earthy 49.34%
    Hyacinth 45.46%
    Fruity 41.64%
    Mushroom 38.4%
    Leaf 30.55%
    Honey 28.58%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.59 (neutral)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point

    • 97.72 ˚C est.

  • Synonyms

    • 1,1-Dimethoxy-3-phenylpropane
    • 30076-98-3
    • (3,3-Dimethoxypropyl)benzene
    • 3,3-dimethoxypropylbenzene
    • Benzene, (3,3-dimethoxypropyl)-
    • 5FNP361AO4
    • EINECS 250-027-9
    • NSC-46114
    • DTXSID00184157
    • NSC 46114
    • DIHYDROCINNAMALDEHYDE DIMETHYL ACETAL
    • 3-PHENYLPROPIONALDEHYDE DIMETHYL ACETAL
    • NSC46114
    • Hydrozimtaldehyddimethylacetal
    • UNII-5FNP361AO4
    • SCHEMBL873038
    • (3,3-Dimethoxypropyl)benzene #
    • DTXCID10106648
    • [3,3-bis(methyloxy)propyl]benzene
    • STK064549
    • AKOS005388208
    • 3-phenyl propionaldehyde dimethyl acetal
    • 3-PHENYLPROPANAL DIMETHYL ACETAL
    • NS00028837
    • Q63398703
    • 250-027-9

  • Applications

    1,1-Dimethoxy-3-phenylpropane (CAS 30076-98-3) is primarily encountered as the acetal-protected form of aldehydes in organic synthesis, masking the carbonyl group to enable selective transformations. It serves as a versatile starting material for preparing more complex arylpropyl compounds and can function as a protecting group that can be deprotected to give 3-phenylpropionaldehyde when desired. In fragrance and cosmetics contexts, it may be used as a fragrance intermediate or precursor to aroma compounds bearing a phenylpropyl motif. It also serves as a pharmaceutical synthesis intermediate, providing a scaffold for subsequent functionalization, and in industrial manufacturing acts as a building block or intermediate for specialty polymers, coatings, and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 931.56
    methanol 1160.66
    isopropanol 468.59
    water 2.83
    ethyl acetate 1446.08
    n-propanol 621.37
    acetone 414.1
    n-butanol 647.02
    acetonitrile 901.7
    DMF 374.29
    toluene 487.33
    isobutanol 394.25
    1,4-dioxane 1987.76
    methyl acetate 723.28
    THF 1109.67
    2-butanone 503.78
    n-pentanol 462.05
    sec-butanol 419.3
    n-hexane 121.44
    ethylene glycol 168.32
    NMP 271.35
    cyclohexane 277.7
    DMSO 633.5
    n-butyl acetate 607.17
    n-octanol 92.33
    chloroform 3770.08
    n-propyl acetate 528.94
    acetic acid 1077.81
    dichloromethane 3710.92
    cyclohexanone 655.91
    propylene glycol 165.94
    isopropyl acetate 557.72
    DMAc 455.58
    2-ethoxyethanol 919.04
    isopentanol 499.65
    n-heptane 85.94
    ethyl formate 588.27
    1,2-dichloroethane 1949.98
    n-hexanol 373.7
    2-methoxyethanol 1101.69
    isobutyl acetate 313.22
    tetrachloromethane 568.65
    n-pentyl acetate 208.53
    transcutol 1813.01
    n-heptanol 121.45
    ethylbenzene 206.3
    MIBK 260.81
    2-propoxyethanol 637.85
    tert-butanol 643.4
    MTBE 694.98
    2-butoxyethanol 291.48
    propionic acid 517.74
    o-xylene 247.22
    formic acid 430.74
    diethyl ether 1494.9
    m-xylene 230.76
    p-xylene 231.45
    chlorobenzene 566.04
    dimethyl carbonate 211.55
    n-octane 22.88
    formamide 570.94
    cyclopentanone 447.54
    2-pentanone 450.33
    anisole 454.04
    cyclopentyl methyl ether 588.38
    gamma-butyrolactone 645.08
    1-methoxy-2-propanol 555.09
    pyridine 1136.05
    3-pentanone 440.47
    furfural 794.83
    n-dodecane 14.37
    diethylene glycol 471.8
    diisopropyl ether 251.49
    tert-amyl alcohol 495.74
    acetylacetone 499.41
    n-hexadecane 16.58
    acetophenone 332.83
    methyl propionate 579.06
    isopentyl acetate 449.39
    trichloroethylene 3057.58
    n-nonanol 92.99
    cyclohexanol 512.02
    benzyl alcohol 324.48
    2-ethylhexanol 237.1
    isooctanol 101.2
    dipropyl ether 479.52
    1,2-dichlorobenzene 518.13
    ethyl lactate 184.05
    propylene carbonate 484.01
    n-methylformamide 355.02
    2-pentanol 352.21
    n-pentane 131.89
    1-propoxy-2-propanol 405.24
    1-methoxy-2-propyl acetate 484.13
    2-(2-methoxypropoxy) propanol 260.44
    mesitylene 145.74
    ε-caprolactone 648.07
    p-cymene 124.76
    epichlorohydrin 1371.33
    1,1,1-trichloroethane 1540.69
    2-aminoethanol 357.65
    morpholine-4-carbaldehyde 687.35
    sulfolane 556.6
    2,2,4-trimethylpentane 54.02
    2-methyltetrahydrofuran 919.39
    n-hexyl acetate 224.68
    isooctane 35.09
    2-(2-butoxyethoxy)ethanol 375.71
    sec-butyl acetate 357.75
    tert-butyl acetate 491.28
    decalin 83.24
    glycerin 253.06
    diglyme 900.08
    acrylic acid 432.48
    isopropyl myristate 97.2
    n-butyric acid 861.27
    acetyl acetate 756.65
    di(2-ethylhexyl) phthalate 95.98
    ethyl propionate 473.78
    nitromethane 1205.88
    1,2-diethoxyethane 860.7
    benzonitrile 394.13
    trioctyl phosphate 59.67
    1-bromopropane 1100.78
    gamma-valerolactone 767.11
    n-decanol 68.17
    triethyl phosphate 217.55
    4-methyl-2-pentanol 179.86
    propionitrile 682.19
    vinylene carbonate 513.68
    1,1,2-trichlorotrifluoroethane 909.61
    DMS 263.49
    cumene 131.34
    2-octanol 65.24
    2-hexanone 348.32
    octyl acetate 110.17
    limonene 191.42
    1,2-dimethoxyethane 1278.97
    ethyl orthosilicate 237.54
    tributyl phosphate 99.44
    diacetone alcohol 352.26
    N,N-dimethylaniline 250.57
    acrylonitrile 649.35
    aniline 563.98
    1,3-propanediol 556.58
    bromobenzene 640.68
    dibromomethane 2333.28
    1,1,2,2-tetrachloroethane 2323.65
    2-methyl-cyclohexyl acetate 277.85
    tetrabutyl urea 105.49
    diisobutyl methanol 142.43
    2-phenylethanol 288.24
    styrene 300.02
    dioctyl adipate 158.08
    dimethyl sulfate 248.38
    ethyl butyrate 512.11
    methyl lactate 178.24
    butyl lactate 141.72
    diethyl carbonate 366.71
    propanediol butyl ether 156.48
    triethyl orthoformate 372.38
    p-tert-butyltoluene 121.5
    methyl 4-tert-butylbenzoate 214.29
    morpholine 1764.88
    tert-butylamine 484.31
    n-dodecanol 53.38
    dimethoxymethane 597.51
    ethylene carbonate 472.18
    cyrene 233.22
    2-ethoxyethyl acetate 373.98
    2-ethylhexyl acetate 358.88
    1,2,4-trichlorobenzene 599.97
    4-methylpyridine 783.4
    dibutyl ether 247.78
    2,6-dimethyl-4-heptanol 142.43
    DEF 637.54
    dimethyl isosorbide 428.52
    tetrachloroethylene 1698.92
    eugenol 212.57
    triacetin 290.76
    span 80 201.9
    1,4-butanediol 216.2
    1,1-dichloroethane 1561.38
    2-methyl-1-pentanol 379.62
    methyl formate 283.51
    2-methyl-1-butanol 457.24
    n-decane 26.23
    butyronitrile 699.72
    3,7-dimethyl-1-octanol 123.62
    1-chlorooctane 103.8
    1-chlorotetradecane 41.08
    n-nonane 26.26
    undecane 17.86
    tert-butylcyclohexane 66.64
    cyclooctane 82.55
    cyclopentanol 335.25
    tetrahydropyran 1455.37
    tert-amyl methyl ether 474.98
    2,5,8-trioxanonane 548.05
    1-hexene 351.2
    2-isopropoxyethanol 490.68
    2,2,2-trifluoroethanol 333.35
    methyl butyrate 576.72

    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