Piperonal propyleneglycol acetal

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  • Identifiers

    CAS number
    61683-99-6

    Molecular formula
    C11H12O4

    SMILES
    CC1COC(O1)C2=CC3=C(C=C2)OCO3

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 85.15%
    Sweet 78.52%
    Vanilla 48.32%
    Powdery 43.55%
    Aromatic 43.05%
    Anisic 37.49%
    Spicy 33.51%
    Creamy 32.85%
    Coumarinic 29.56%
    Hay 27.71%

     

    Flavor
    Bitter 76.8%
    Sweet 45.05%
    Woody 29.23%
    Coconut 25.89%
    Naphthalic 24.1%
    Tonka 23.75%
    Vanilla 20.32%
    Eugenol 20.15%
    Cauliflower 19.92%
    Cereal 19.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.76 (weak acid)

    Molecular weight
    208.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point

    • 128.17 ˚C est.

  • Synonyms

    • 61683-99-6
    • 5-(4-Methyl-1,3-dioxolan-2-yl)benzo[d][1,3]dioxole
    • 5-(4-Methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
    • Piperonal propyleneglycol acetal
    • 1,3-Benzodioxole, 5-(4-methyl-1,3-dioxolan-2-yl)-
    • piperonal propylene glycol acetal
    • 174R7G1LAM
    • heliotropyl propylene glycol acetal
    • 4-(4-Methyl-1,3-dioxolan-2-yl)-1,2-methylenedioxybenzene
    • EINECS 262-897-7
    • NSC-406081
    • AI3-20182
    • FEMA NO. 4622
    • DTXSID80866868
    • 1,3-Benzodioxole, 5-(4-methyl-1,3-dioxolan-2-yl)
    • NSC 406081
    • 5-(4-methyl-1,3-dioxolan-2-yl)-2H-1,3-benzodioxole
    • 1,3-DIOXOLANE, 4-METHYL-2-(3,4-METHYLENEDIOXYPHENYL)-
    • UNII-174R7G1LAM
    • MFCD13194964
    • SCHEMBL18338920
    • DTXCID50815101
    • Heliotropine propylene glycol acetal
    • NSC406081
    • AKOS015951112
    • 1, 5-(4-methyl-1,3-dioxolan-2-yl)
    • AS-44344
    • 1, 5-(4-methyl-1,3-dioxolan-2-yl)-
    • DB-242170
    • CS-0152669
    • M2483
    • NS00053636
    • (+/-)-PIPERONAL PROPYLENEGLYCOL ACETAL
    • PIPERONAL PROPYLENEGLYCOL ACETAL, (+/-)-
    • Q27251866
    • 5-(4-Methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole #
    • 262-897-7

  • Applications

    Piperonal propyleneglycol acetal (CAS 61683-99-6) is a fragrance-related compound with a characteristic piperonal note; in perfumery it is used as a fragrance ingredient and as an aroma intermediate for synthesizing new fragrance materials. It is commonly evaluated as a solvent or carrier for fragrance oils in cosmetics and personal care products, and as a fragrance fixative to help extend scent release in household cleaners and other consumer formulations. It may also serve as an intermediate in fragrance synthesis for industrial manufacturing, and may be considered for use in coatings or inks as a fragrance additive in formulated systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 122.31
    methanol 180.61
    isopropanol 102.04
    water 9.67
    ethyl acetate 268.36
    n-propanol 88.08
    acetone 336.59
    n-butanol 86.39
    acetonitrile 414.68
    DMF 521.52
    toluene 37.21
    isobutanol 77.56
    1,4-dioxane 348.45
    methyl acetate 273.68
    THF 346.75
    2-butanone 202.31
    n-pentanol 73.05
    sec-butanol 91.32
    n-hexane 2.45
    ethylene glycol 141.51
    NMP 279.69
    cyclohexane 4.98
    DMSO 611.99
    n-butyl acetate 100.13
    n-octanol 38.59
    chloroform 425.58
    n-propyl acetate 160.17
    acetic acid 483.74
    dichloromethane 511.48
    cyclohexanone 165.11
    propylene glycol 96.89
    isopropyl acetate 170.56
    DMAc 502.37
    2-ethoxyethanol 366.75
    isopentanol 105.95
    n-heptane 3.61
    ethyl formate 168.44
    1,2-dichloroethane 270.78
    n-hexanol 54.52
    2-methoxyethanol 472.91
    isobutyl acetate 104.02
    tetrachloromethane 40.57
    n-pentyl acetate 56.04
    transcutol 880.7
    n-heptanol 32.57
    ethylbenzene 28.23
    MIBK 130.18
    2-propoxyethanol 222.68
    tert-butanol 165.76
    MTBE 137.38
    2-butoxyethanol 117.98
    propionic acid 170.36
    o-xylene 33.33
    formic acid 413.76
    diethyl ether 129.62
    m-xylene 36.47
    p-xylene 40.3
    chlorobenzene 91.56
    dimethyl carbonate 206.35
    n-octane 2.47
    formamide 683.05
    cyclopentanone 245.46
    2-pentanone 163.8
    anisole 153.92
    cyclopentyl methyl ether 128.44
    gamma-butyrolactone 356.37
    1-methoxy-2-propanol 329.37
    pyridine 210.06
    3-pentanone 127.56
    furfural 418.94
    n-dodecane 3.68
    diethylene glycol 310.53
    diisopropyl ether 44.17
    tert-amyl alcohol 124.51
    acetylacetone 340.97
    n-hexadecane 4.16
    acetophenone 163.27
    methyl propionate 217.59
    isopentyl acetate 103.11
    trichloroethylene 592.82
    n-nonanol 38.98
    cyclohexanol 75.07
    benzyl alcohol 123.69
    2-ethylhexanol 43.23
    isooctanol 33.5
    dipropyl ether 52.12
    1,2-dichlorobenzene 105.97
    ethyl lactate 124.95
    propylene carbonate 234.92
    n-methylformamide 320.47
    2-pentanol 70.52
    n-pentane 3.01
    1-propoxy-2-propanol 132.15
    1-methoxy-2-propyl acetate 185.44
    2-(2-methoxypropoxy) propanol 204.47
    mesitylene 25.02
    ε-caprolactone 183.42
    p-cymene 25.96
    epichlorohydrin 491.07
    1,1,1-trichloroethane 181.52
    2-aminoethanol 164.14
    morpholine-4-carbaldehyde 473.48
    sulfolane 327.99
    2,2,4-trimethylpentane 4.26
    2-methyltetrahydrofuran 195.11
    n-hexyl acetate 89.74
    isooctane 3.36
    2-(2-butoxyethoxy)ethanol 235.64
    sec-butyl acetate 114.94
    tert-butyl acetate 172.79
    decalin 5.4
    glycerin 236.72
    diglyme 471.88
    acrylic acid 215.68
    isopropyl myristate 47.41
    n-butyric acid 195.42
    acetyl acetate 265.44
    di(2-ethylhexyl) phthalate 55.44
    ethyl propionate 146.34
    nitromethane 1063.99
    1,2-diethoxyethane 188.17
    benzonitrile 140.61
    trioctyl phosphate 36.6
    1-bromopropane 79.33
    gamma-valerolactone 373.04
    n-decanol 31.34
    triethyl phosphate 74.39
    4-methyl-2-pentanol 59.84
    propionitrile 162.28
    vinylene carbonate 246.28
    1,1,2-trichlorotrifluoroethane 403.99
    DMS 149.72
    cumene 24.92
    2-octanol 24.48
    2-hexanone 111.18
    octyl acetate 56.67
    limonene 31.89
    1,2-dimethoxyethane 455.66
    ethyl orthosilicate 64.1
    tributyl phosphate 54.06
    diacetone alcohol 215.06
    N,N-dimethylaniline 90.81
    acrylonitrile 274.53
    aniline 95.32
    1,3-propanediol 211.68
    bromobenzene 85.84
    dibromomethane 226.19
    1,1,2,2-tetrachloroethane 331.51
    2-methyl-cyclohexyl acetate 82.48
    tetrabutyl urea 63.61
    diisobutyl methanol 33.5
    2-phenylethanol 91.59
    styrene 39.43
    dioctyl adipate 81.45
    dimethyl sulfate 298.9
    ethyl butyrate 103.6
    methyl lactate 174.1
    butyl lactate 68.7
    diethyl carbonate 98.89
    propanediol butyl ether 117.52
    triethyl orthoformate 81.65
    p-tert-butyltoluene 24.57
    methyl 4-tert-butylbenzoate 116.76
    morpholine 347.58
    tert-butylamine 74.86
    n-dodecanol 26.4
    dimethoxymethane 392.94
    ethylene carbonate 193.91
    cyrene 176.78
    2-ethoxyethyl acetate 131.41
    2-ethylhexyl acetate 76.96
    1,2,4-trichlorobenzene 132.02
    4-methylpyridine 165.64
    dibutyl ether 56.6
    2,6-dimethyl-4-heptanol 33.5
    DEF 226.61
    dimethyl isosorbide 249.38
    tetrachloroethylene 211.81
    eugenol 122.97
    triacetin 167.43
    span 80 102.77
    1,4-butanediol 108.49
    1,1-dichloroethane 205.68
    2-methyl-1-pentanol 82.83
    methyl formate 290.86
    2-methyl-1-butanol 89.5
    n-decane 5.14
    butyronitrile 131.14
    3,7-dimethyl-1-octanol 54.92
    1-chlorooctane 24.55
    1-chlorotetradecane 13.18
    n-nonane 4.16
    undecane 4.22
    tert-butylcyclohexane 4.83
    cyclooctane 2.63
    cyclopentanol 84.29
    tetrahydropyran 148.31
    tert-amyl methyl ether 98.53
    2,5,8-trioxanonane 345.31
    1-hexene 12.95
    2-isopropoxyethanol 227.41
    2,2,2-trifluoroethanol 308.87
    methyl butyrate 171.2

    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