1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-

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  • Identifiers

    CAS number
    5780-07-4

    Molecular formula
    C9H8O4

    SMILES
    COC1=CC(=CC2=C1OCO2)C=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 72.48%
    Floral 70.17%
    Vanilla 62.69%
    Spicy 51.98%
    Powdery 47.81%
    Creamy 41.75%
    Woody 35.48%
    Balsamic 32.83%
    Green 32.68%
    Aromatic 31.46%

     

    Flavor
    Bitter 59.27%
    Sweet 40.57%
    Woody 37.15%
    Vanilla 35.34%
    Spice 33.32%
    Tonka 27.61%
    Powdery 26.67%
    Caramel 23.92%
    Coconut 23.51%
    Creamy 23.3%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.92 (weak acid)

    Molecular weight
    180.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    287°C

    Flash point

    • 131.57 ˚C est.

  • Synonyms

    • 5780-07-4
    • 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy-
    • Myristicinaldehyde
    • 7-Methoxybenzo-1,3-dioxole-5-carboxaldehyde
    • DTXSID9064001
    • EINECS 227-304-8
    • AI3-24290
    • 7-METHYOXY-1,3-BENZODIOXOLE-5-CARBOXALDEHYDE
    • RefChem:413847
    • DTXCID3042265
    • 227-304-8
    • Myristicin aldehyde
    • 5-methoxypiperonal
    • 7-METHOXYBENZO[D][1,3]DIOXOLE-5-CARBALDEHYDE
    • 3-Methoxy-4,5-methylenedioxybenzaldehyde
    • 7-Methoxy-1,3-benzodioxole-5-carbaldehyde
    • 3-Methoxypiperonal
    • 7-Methoxy-benzo[1,3]dioxole-5-carbaldehyde
    • 7-methoxy-2H-1,3-benzodioxole-5-carbaldehyde
    • MFCD00016900
    • 7-methoxy-1,3-benzodioxole-5-carboxaldehyde
    • 7-methoxy-1,3-dioxaindane-5-carbaldehyde
    • 7-Methoxy-Benzo(1,3)Dioxole-5-Carbaldehyde
    • 7-methoxy-2H-benzo[d]1,3-dioxolene-5-carbaldehyde
    • Myristicaldehyde
    • Myristicinaldehyd
    • 3,4-(Methylenedioxy)-5-methoxybenzaldehyde
    • 3-Methoxy-4,5-(methylenedioxy)benzaldehyde
    • 5NVX6YPV6E
    • myristicin aldehyde, AldrichCPR
    • SCHEMBL1418594
    • CHEMBL3577782
    • SCHEMBL31242688
    • BB_NC-02874
    • BBL027823
    • SBB018552
    • STK667579
    • 5-Formyl-7-methoxy-1,3-benzodioxole
    • AKOS000289320
    • EBC-618257
    • FM70513
    • 3-methoxy-4,5methylenedioxybenzaldehyde
    • NCGC00323064-01
    • AC-10297
    • AS-57202
    • DA-04718
    • SY122799
    • DB-008316
    • ST4144189
    • CS-0036206
    • NS00046731
    • 7-Methoxy-1,3-benzodioxole-5-carbaldehyde #
    • EN300-11058
    • Benzaldehyde, 3-methoxy-4,5-(methylenedioxy)-
    • 7-methoxybenzo [d]1,3-dioxolane-5-carboaldehyde
    • 7-Methoxybenzo[d][1,3]dioxole-5-carboxaldehyde
    • AB01318510-02
    • F057776
    • Z57032589
    • 5780-07-4

  • Applications

    Chemical: 1,3-Benzodioxole-5-carboxaldehyde, 7-methoxy- (CAS 5780-07-4) is viewed as an aromatic building block and intermediate for fragrance chemistry and flavor synthesis. In perfumery it can contribute to specific odor notes as a fragrance ingredient or precursor; in flavor chemistry it may serve as a structural building block for aroma compounds. In cosmetics and personal care it may be used as a fragrance component, and in household products as an odorant additive for air fresheners and cleaners. It also functions as an intermediate in the synthesis of more complex specialty chemicals for polymers and coatings, and as a building block in pharmaceutical and other specialty chemistries. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.81
    methanol 46.43
    isopropanol 18.6
    water 6.95
    ethyl acetate 64.85
    n-propanol 16.73
    acetone 131.23
    n-butanol 14.9
    acetonitrile 122.97
    DMF 230.91
    toluene 9.82
    isobutanol 13.35
    1,4-dioxane 103.53
    methyl acetate 95.26
    THF 119.05
    2-butanone 64.94
    n-pentanol 15.59
    sec-butanol 15.63
    n-hexane 0.86
    ethylene glycol 72.02
    NMP 155.75
    cyclohexane 1.65
    DMSO 334.9
    n-butyl acetate 35.74
    n-octanol 18.81
    chloroform 87.03
    n-propyl acetate 55.56
    acetic acid 88.85
    dichloromethane 137.79
    cyclohexanone 76.68
    propylene glycol 25.16
    isopropyl acetate 42.94
    DMAc 181.12
    2-ethoxyethanol 94.45
    isopentanol 17.9
    n-heptane 2.46
    ethyl formate 68.23
    1,2-dichloroethane 95.8
    n-hexanol 19.39
    2-methoxyethanol 142.42
    isobutyl acetate 34.65
    tetrachloromethane 16.63
    n-pentyl acetate 25.92
    transcutol 124.96
    n-heptanol 15.96
    ethylbenzene 11.16
    MIBK 35.83
    2-propoxyethanol 75.08
    tert-butanol 33.35
    MTBE 22.03
    2-butoxyethanol 49.18
    propionic acid 45.45
    o-xylene 14.37
    formic acid 103.32
    diethyl ether 22.04
    m-xylene 13.17
    p-xylene 18.34
    chlorobenzene 32.48
    dimethyl carbonate 76.86
    n-octane 1.87
    formamide 191.61
    cyclopentanone 123.91
    2-pentanone 47.94
    anisole 48.64
    cyclopentyl methyl ether 39.54
    gamma-butyrolactone 173.06
    1-methoxy-2-propanol 77.05
    pyridine 69.78
    3-pentanone 40.96
    furfural 180.17
    n-dodecane 2.65
    diethylene glycol 128.9
    diisopropyl ether 9.49
    tert-amyl alcohol 25.48
    acetylacetone 104.26
    n-hexadecane 2.98
    acetophenone 65.19
    methyl propionate 66.79
    isopentyl acetate 33.23
    trichloroethylene 161.39
    n-nonanol 18.03
    cyclohexanol 21.12
    benzyl alcohol 42.47
    2-ethylhexanol 17.07
    isooctanol 15.71
    dipropyl ether 19.1
    1,2-dichlorobenzene 44.11
    ethyl lactate 51.99
    propylene carbonate 90.63
    n-methylformamide 137.01
    2-pentanol 12.35
    n-pentane 0.8
    1-propoxy-2-propanol 47.7
    1-methoxy-2-propyl acetate 54.86
    2-(2-methoxypropoxy) propanol 57.98
    mesitylene 10.2
    ε-caprolactone 71.55
    p-cymene 13.42
    epichlorohydrin 185.27
    1,1,1-trichloroethane 60.08
    2-aminoethanol 44.57
    morpholine-4-carbaldehyde 178.74
    sulfolane 200.96
    2,2,4-trimethylpentane 1.25
    2-methyltetrahydrofuran 58.8
    n-hexyl acetate 34.47
    isooctane 1.12
    2-(2-butoxyethoxy)ethanol 61.77
    sec-butyl acetate 33.44
    tert-butyl acetate 44.47
    decalin 2.5
    glycerin 83.62
    diglyme 133.35
    acrylic acid 64.73
    isopropyl myristate 20.12
    n-butyric acid 44.0
    acetyl acetate 62.23
    di(2-ethylhexyl) phthalate 23.43
    ethyl propionate 50.39
    nitromethane 303.3
    1,2-diethoxyethane 39.77
    benzonitrile 61.7
    trioctyl phosphate 19.22
    1-bromopropane 19.77
    gamma-valerolactone 160.19
    n-decanol 15.19
    triethyl phosphate 33.1
    4-methyl-2-pentanol 12.21
    propionitrile 56.21
    vinylene carbonate 98.18
    1,1,2-trichlorotrifluoroethane 145.49
    DMS 57.6
    cumene 11.42
    2-octanol 12.25
    2-hexanone 43.28
    octyl acetate 24.54
    limonene 14.87
    1,2-dimethoxyethane 141.9
    ethyl orthosilicate 27.33
    tributyl phosphate 21.95
    diacetone alcohol 64.22
    N,N-dimethylaniline 37.21
    acrylonitrile 105.75
    aniline 27.54
    1,3-propanediol 54.38
    bromobenzene 30.21
    dibromomethane 60.54
    1,1,2,2-tetrachloroethane 106.65
    2-methyl-cyclohexyl acetate 35.18
    tetrabutyl urea 30.96
    diisobutyl methanol 13.51
    2-phenylethanol 38.89
    styrene 13.7
    dioctyl adipate 32.42
    dimethyl sulfate 143.15
    ethyl butyrate 39.99
    methyl lactate 66.14
    butyl lactate 28.45
    diethyl carbonate 38.12
    propanediol butyl ether 40.87
    triethyl orthoformate 31.84
    p-tert-butyltoluene 12.53
    methyl 4-tert-butylbenzoate 50.79
    morpholine 85.76
    tert-butylamine 14.78
    n-dodecanol 12.92
    dimethoxymethane 124.0
    ethylene carbonate 73.99
    cyrene 77.37
    2-ethoxyethyl acetate 45.3
    2-ethylhexyl acetate 26.39
    1,2,4-trichlorobenzene 52.71
    4-methylpyridine 58.84
    dibutyl ether 17.67
    2,6-dimethyl-4-heptanol 13.51
    DEF 75.87
    dimethyl isosorbide 96.43
    tetrachloroethylene 74.76
    eugenol 56.26
    triacetin 57.83
    span 80 34.87
    1,4-butanediol 33.33
    1,1-dichloroethane 54.89
    2-methyl-1-pentanol 17.36
    methyl formate 153.81
    2-methyl-1-butanol 14.64
    n-decane 3.5
    butyronitrile 39.91
    3,7-dimethyl-1-octanol 19.92
    1-chlorooctane 13.32
    1-chlorotetradecane 7.64
    n-nonane 3.0
    undecane 3.0
    tert-butylcyclohexane 2.25
    cyclooctane 1.16
    cyclopentanol 28.33
    tetrahydropyran 38.39
    tert-amyl methyl ether 20.38
    2,5,8-trioxanonane 95.21
    1-hexene 3.88
    2-isopropoxyethanol 65.0
    2,2,2-trifluoroethanol 93.06
    methyl butyrate 64.44

    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