2-(1,3-Dioxaindan-5-yl)acetaldehyde

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  • Identifiers

    CAS number
    6543-34-6

    Molecular formula
    C9H8O3

    SMILES
    C1OC2=C(O1)C=C(C=C2)CC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 78.36%
    Sweet 74.87%
    Spicy 49.88%
    Powdery 45.22%
    Vanilla 40.89%
    Green 36.41%
    Cinnamon 34.28%
    Fresh 33.05%
    Woody 33.02%
    Hay 29.58%

     

    Flavor
    Sweet 92.12%
    Floral 55.36%
    Vanilla 53.86%
    Woody 52.96%
    Bitter 46.21%
    Creamy 45.12%
    Powdery 44.6%
    Spice 44.57%
    Spicy 43.1%
    Balsam 41.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.36 (neutral)

    Molecular weight
    164.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point

    • 134.27 ˚C est.

  • Synonyms

    • 6543-34-6
    • 1,3-benzodioxol-5-ylacetaldehyde
    • PIPERONYL FORMALDEHYDE
    • 2-(1,3-benzodioxol-5-yl)acetaldehyde
    • 2-(Benzo[d][1,3]dioxol-5-yl)acetaldehyde
    • 2-(1,3-Dioxaindan-5-yl)acetaldehyde
    • Homopiperonal
    • 1,3-Benzodioxole-5-acetaldehyde
    • Benzo[1,3]dioxol-5-ylacetaldehyde
    • NSC107645
    • SCHEMBL406700
    • DTXSID30296095
    • RRMZTAWQQFJQHL-UHFFFAOYSA-N
    • benzo[1,3]dioxol-5-yl-acetaldehyde
    • MFCD11553606
    • (3,4-methylenedioxyphenyl)acetaldehyde
    • AKOS006324778
    • NSC-107645
    • DB-031535
    • CS-0259423
    • EN300-732979
    • Z1198331621
    • 896-452-9

  • Applications

    2-(1,3-Dioxaindan-5-yl)acetaldehyde (CAS 6543-34-6) is an aldehyde-containing building block featuring a 1,3-Dioxaindan ring, typically employed as an organic intermediate in chemical synthesis. In industrial practice, typical applications include: (1) a fragrance intermediate in perfumery and flavor chemistry; (2) a synthetic precursor in pharmaceutical and agrochemical development; (3) a functional aldehyde building block for polymers and coatings (for crosslinking or functionalization); and (4) a precursor for specialty chemicals used in adhesives and inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.32
    methanol 67.04
    isopropanol 26.84
    water 3.72
    ethyl acetate 54.44
    n-propanol 29.91
    acetone 125.64
    n-butanol 21.3
    acetonitrile 122.28
    DMF 243.83
    toluene 15.31
    isobutanol 21.39
    1,4-dioxane 130.46
    methyl acetate 96.18
    THF 97.31
    2-butanone 88.16
    n-pentanol 23.49
    sec-butanol 26.26
    n-hexane 1.09
    ethylene glycol 72.55
    NMP 209.3
    cyclohexane 1.8
    DMSO 417.29
    n-butyl acetate 38.78
    n-octanol 19.01
    chloroform 89.24
    n-propyl acetate 49.33
    acetic acid 90.31
    dichloromethane 140.12
    cyclohexanone 85.79
    propylene glycol 41.01
    isopropyl acetate 30.5
    DMAc 227.53
    2-ethoxyethanol 115.32
    isopentanol 25.21
    n-heptane 2.08
    ethyl formate 53.67
    1,2-dichloroethane 100.42
    n-hexanol 24.71
    2-methoxyethanol 144.23
    isobutyl acetate 25.75
    tetrachloromethane 13.05
    n-pentyl acetate 23.19
    transcutol 360.05
    n-heptanol 14.84
    ethylbenzene 13.4
    MIBK 31.34
    2-propoxyethanol 74.77
    tert-butanol 41.03
    MTBE 21.84
    2-butoxyethanol 47.67
    propionic acid 62.89
    o-xylene 18.75
    formic acid 116.31
    diethyl ether 25.52
    m-xylene 14.4
    p-xylene 19.27
    chlorobenzene 34.06
    dimethyl carbonate 46.94
    n-octane 1.1
    formamide 224.37
    cyclopentanone 113.58
    2-pentanone 43.71
    anisole 61.03
    cyclopentyl methyl ether 34.33
    gamma-butyrolactone 141.93
    1-methoxy-2-propanol 78.97
    pyridine 98.14
    3-pentanone 41.32
    furfural 178.45
    n-dodecane 1.46
    diethylene glycol 120.62
    diisopropyl ether 8.5
    tert-amyl alcohol 36.61
    acetylacetone 82.01
    n-hexadecane 1.64
    acetophenone 69.89
    methyl propionate 57.94
    isopentyl acetate 34.68
    trichloroethylene 171.92
    n-nonanol 17.62
    cyclohexanol 24.85
    benzyl alcohol 49.22
    2-ethylhexanol 18.84
    isooctanol 14.37
    dipropyl ether 19.18
    1,2-dichlorobenzene 43.45
    ethyl lactate 44.11
    propylene carbonate 80.95
    n-methylformamide 146.14
    2-pentanol 14.64
    n-pentane 0.86
    1-propoxy-2-propanol 49.4
    1-methoxy-2-propyl acetate 53.58
    2-(2-methoxypropoxy) propanol 80.23
    mesitylene 10.43
    ε-caprolactone 75.95
    p-cymene 13.85
    epichlorohydrin 178.64
    1,1,1-trichloroethane 48.71
    2-aminoethanol 63.38
    morpholine-4-carbaldehyde 218.26
    sulfolane 205.08
    2,2,4-trimethylpentane 1.22
    2-methyltetrahydrofuran 63.41
    n-hexyl acetate 36.4
    isooctane 0.97
    2-(2-butoxyethoxy)ethanol 91.41
    sec-butyl acetate 28.47
    tert-butyl acetate 35.18
    decalin 2.53
    glycerin 95.54
    diglyme 175.98
    acrylic acid 80.95
    isopropyl myristate 17.66
    n-butyric acid 44.52
    acetyl acetate 42.45
    di(2-ethylhexyl) phthalate 24.56
    ethyl propionate 43.84
    nitromethane 275.4
    1,2-diethoxyethane 59.35
    benzonitrile 60.32
    trioctyl phosphate 16.72
    1-bromopropane 26.67
    gamma-valerolactone 169.48
    n-decanol 14.55
    triethyl phosphate 28.8
    4-methyl-2-pentanol 13.41
    propionitrile 54.35
    vinylene carbonate 80.03
    1,1,2-trichlorotrifluoroethane 141.05
    DMS 56.78
    cumene 11.88
    2-octanol 10.81
    2-hexanone 45.66
    octyl acetate 22.52
    limonene 16.26
    1,2-dimethoxyethane 154.19
    ethyl orthosilicate 23.48
    tributyl phosphate 22.54
    diacetone alcohol 58.47
    N,N-dimethylaniline 41.26
    acrylonitrile 98.74
    aniline 36.99
    1,3-propanediol 59.18
    bromobenzene 31.06
    dibromomethane 63.71
    1,1,2,2-tetrachloroethane 110.82
    2-methyl-cyclohexyl acetate 33.6
    tetrabutyl urea 32.34
    diisobutyl methanol 13.1
    2-phenylethanol 41.22
    styrene 17.15
    dioctyl adipate 31.63
    dimethyl sulfate 99.32
    ethyl butyrate 37.34
    methyl lactate 57.35
    butyl lactate 32.35
    diethyl carbonate 35.23
    propanediol butyl ether 60.08
    triethyl orthoformate 28.96
    p-tert-butyltoluene 12.3
    methyl 4-tert-butylbenzoate 50.5
    morpholine 127.02
    tert-butylamine 19.4
    n-dodecanol 11.92
    dimethoxymethane 91.81
    ethylene carbonate 60.56
    cyrene 77.54
    2-ethoxyethyl acetate 48.77
    2-ethylhexyl acetate 27.8
    1,2,4-trichlorobenzene 52.81
    4-methylpyridine 75.34
    dibutyl ether 20.06
    2,6-dimethyl-4-heptanol 13.1
    DEF 77.07
    dimethyl isosorbide 103.51
    tetrachloroethylene 74.21
    eugenol 57.15
    triacetin 60.97
    span 80 46.73
    1,4-butanediol 40.11
    1,1-dichloroethane 58.46
    2-methyl-1-pentanol 25.17
    methyl formate 117.32
    2-methyl-1-butanol 22.37
    n-decane 2.06
    butyronitrile 38.65
    3,7-dimethyl-1-octanol 21.95
    1-chlorooctane 10.46
    1-chlorotetradecane 5.28
    n-nonane 1.77
    undecane 1.71
    tert-butylcyclohexane 2.2
    cyclooctane 0.93
    cyclopentanol 31.19
    tetrahydropyran 47.37
    tert-amyl methyl ether 22.06
    2,5,8-trioxanonane 132.86
    1-hexene 5.69
    2-isopropoxyethanol 71.06
    2,2,2-trifluoroethanol 70.1
    methyl butyrate 59.98

    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