(3,3-Diethoxypropyl)benzene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6956-37-2

    Molecular formula
    C13H20O2

    SMILES
    CCOC(CCC1=CC=CC=C1)OCC

  • Odor profile

    Fragrance
    Green 88.58%
    Sweet 65.0%
    Floral 61.66%
    Fruity 54.77%
    Hyacinth 49.82%
    Herbal 46.68%
    Fresh 46.43%
    Spicy 44.9%
    Leafy 43.5%
    Almond 39.07%

     

    Flavor
    Green 72.85%
    Floral 59.42%
    Earthy 46.19%
    Fruity 44.74%
    Rose 43.94%
    Mushroom 33.89%
    Hyacinth 33.01%
    Bitter 31.34%
    Tropical 29.36%
    Sweet 28.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.85 (neutral)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 108.49 ˚C est.

  • Synonyms

    • (3,3-Diethoxypropyl)benzene
    • 6956-37-2
    • 3,3-diethoxypropylbenzene
    • Benzene,(3,3-diethoxypropyl)-
    • Hydrocinnamaldehyde, diethyl acetal
    • Benzene, (3,3-diethoxypropyl)-
    • EINECS 230-141-5
    • NSC 65026
    • JH38ETY7K7
    • DTXSID8064517
    • NSC-65026
    • NSC65026
    • UNII-JH38ETY7K7
    • Benzene,3-diethoxypropyl)-
    • hydrocinnamaldehyde diethylacetal
    • SCHEMBL5962154
    • DTXCID4046521
    • PUAHZQALAWRSNP-UHFFFAOYSA-N
    • MFCD00871390
    • 3-PHENYLPROPANAL DIETHYL ACETAL
    • NS00036889
    • Q63398762
    • 230-141-5

  • Applications

    (3,3-Diethoxypropyl)benzene (CAS 6956-37-2) is primarily used as a building block and chemical intermediate in several areas: as an intermediate in organic synthesis, notably as a diethoxy-protected propyl building block for subsequent transformations; as a precursor for specialty polymers, resins, and coatings, introducing an aryl–alkyl ether motif; as a processing aid or solvent in chemical manufacturing; evaluated for fragrance applications as a fragrance intermediate or fixative; and as an intermediate in the synthesis of pharmaceutical or agrochemical compounds, depending on local regulations and formulation needs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 948.23
    methanol 953.43
    isopropanol 618.16
    water 0.9
    ethyl acetate 1695.55
    n-propanol 773.94
    acetone 1537.94
    n-butanol 821.17
    acetonitrile 1551.7
    DMF 964.94
    toluene 833.24
    isobutanol 634.12
    1,4-dioxane 2249.31
    methyl acetate 1175.73
    THF 1874.0
    2-butanone 1179.25
    n-pentanol 647.15
    sec-butanol 640.0
    n-hexane 540.95
    ethylene glycol 126.38
    NMP 1088.82
    cyclohexane 901.49
    DMSO 1649.01
    n-butyl acetate 1386.3
    n-octanol 308.78
    chloroform 6147.35
    n-propyl acetate 1138.15
    acetic acid 1255.72
    dichloromethane 6446.56
    cyclohexanone 1949.89
    propylene glycol 150.54
    isopropyl acetate 926.07
    DMAc 1129.75
    2-ethoxyethanol 790.78
    isopentanol 758.94
    n-heptane 301.94
    ethyl formate 739.65
    1,2-dichloroethane 3532.08
    n-hexanol 703.93
    2-methoxyethanol 905.38
    isobutyl acetate 695.76
    tetrachloromethane 1022.15
    n-pentyl acetate 672.72
    transcutol 2220.45
    n-heptanol 262.22
    ethylbenzene 465.51
    MIBK 607.22
    2-propoxyethanol 869.35
    tert-butanol 845.96
    MTBE 1269.08
    2-butoxyethanol 464.1
    propionic acid 753.24
    o-xylene 486.78
    formic acid 278.57
    diethyl ether 2119.19
    m-xylene 466.19
    p-xylene 613.15
    chlorobenzene 1290.37
    dimethyl carbonate 411.32
    n-octane 99.94
    formamide 357.35
    cyclopentanone 1484.89
    2-pentanone 1044.91
    anisole 748.83
    cyclopentyl methyl ether 1271.04
    gamma-butyrolactone 1672.69
    1-methoxy-2-propanol 620.81
    pyridine 1728.82
    3-pentanone 1041.1
    furfural 1259.9
    n-dodecane 67.67
    diethylene glycol 471.18
    diisopropyl ether 525.91
    tert-amyl alcohol 751.84
    acetylacetone 1133.2
    n-hexadecane 78.68
    acetophenone 681.74
    methyl propionate 976.86
    isopentyl acetate 1032.59
    trichloroethylene 5015.83
    n-nonanol 277.48
    cyclohexanol 980.97
    benzyl alcohol 505.83
    2-ethylhexanol 522.62
    isooctanol 237.22
    dipropyl ether 1067.66
    1,2-dichlorobenzene 1196.22
    ethyl lactate 333.82
    propylene carbonate 1037.87
    n-methylformamide 476.63
    2-pentanol 569.69
    n-pentane 362.42
    1-propoxy-2-propanol 667.45
    1-methoxy-2-propyl acetate 803.44
    2-(2-methoxypropoxy) propanol 466.18
    mesitylene 329.15
    ε-caprolactone 1599.6
    p-cymene 282.08
    epichlorohydrin 2232.52
    1,1,1-trichloroethane 2710.0
    2-aminoethanol 277.13
    morpholine-4-carbaldehyde 1171.14
    sulfolane 1758.02
    2,2,4-trimethylpentane 150.8
    2-methyltetrahydrofuran 1708.6
    n-hexyl acetate 813.7
    isooctane 94.58
    2-(2-butoxyethoxy)ethanol 619.03
    sec-butyl acetate 716.85
    tert-butyl acetate 884.83
    decalin 290.1
    glycerin 232.39
    diglyme 1305.31
    acrylic acid 592.29
    isopropyl myristate 334.0
    n-butyric acid 1224.3
    acetyl acetate 1177.46
    di(2-ethylhexyl) phthalate 258.2
    ethyl propionate 915.21
    nitromethane 1690.6
    1,2-diethoxyethane 1420.23
    benzonitrile 848.57
    trioctyl phosphate 192.17
    1-bromopropane 2217.62
    gamma-valerolactone 1567.78
    n-decanol 204.21
    triethyl phosphate 406.59
    4-methyl-2-pentanol 314.17
    propionitrile 1093.86
    vinylene carbonate 994.02
    1,1,2-trichlorotrifluoroethane 1311.05
    DMS 676.56
    cumene 306.83
    2-octanol 207.52
    2-hexanone 933.92
    octyl acetate 379.7
    limonene 485.76
    1,2-dimethoxyethane 1685.95
    ethyl orthosilicate 411.04
    tributyl phosphate 304.48
    diacetone alcohol 583.36
    N,N-dimethylaniline 494.38
    acrylonitrile 1025.67
    aniline 765.83
    1,3-propanediol 452.45
    bromobenzene 1640.29
    dibromomethane 4374.66
    1,1,2,2-tetrachloroethane 4292.55
    2-methyl-cyclohexyl acetate 626.04
    tetrabutyl urea 354.37
    diisobutyl methanol 288.33
    2-phenylethanol 470.79
    styrene 651.25
    dioctyl adipate 474.5
    dimethyl sulfate 620.35
    ethyl butyrate 987.87
    methyl lactate 307.57
    butyl lactate 402.82
    diethyl carbonate 664.37
    propanediol butyl ether 331.27
    triethyl orthoformate 634.32
    p-tert-butyltoluene 267.64
    methyl 4-tert-butylbenzoate 483.71
    morpholine 1989.2
    tert-butylamine 688.13
    n-dodecanol 167.03
    dimethoxymethane 881.8
    ethylene carbonate 977.5
    cyrene 423.92
    2-ethoxyethyl acetate 743.17
    2-ethylhexyl acetate 857.71
    1,2,4-trichlorobenzene 1246.97
    4-methylpyridine 1496.6
    dibutyl ether 839.04
    2,6-dimethyl-4-heptanol 288.33
    DEF 1272.55
    dimethyl isosorbide 785.25
    tetrachloroethylene 2954.06
    eugenol 419.76
    triacetin 725.97
    span 80 442.69
    1,4-butanediol 237.19
    1,1-dichloroethane 2910.11
    2-methyl-1-pentanol 596.19
    methyl formate 443.94
    2-methyl-1-butanol 727.7
    n-decane 120.31
    butyronitrile 1143.03
    3,7-dimethyl-1-octanol 343.11
    1-chlorooctane 399.5
    1-chlorotetradecane 162.87
    n-nonane 128.29
    undecane 84.64
    tert-butylcyclohexane 232.93
    cyclooctane 258.22
    cyclopentanol 705.03
    tetrahydropyran 2382.59
    tert-amyl methyl ether 906.25
    2,5,8-trioxanonane 830.9
    1-hexene 1110.62
    2-isopropoxyethanol 609.96
    2,2,2-trifluoroethanol 413.87
    methyl butyrate 1215.22

    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