3-(3,4-Methylenedioxyphenyl)-2-methylpropanal

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  • Identifiers

    CAS number
    1205-17-0

    Molecular formula
    C11H12O3

    SMILES
    CC(CC1=CC2=C(C=C1)OCO2)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 81.13%
    Sweet 76.36%
    Green 74.46%
    Fruity 66.25%
    Fresh 61.66%
    Aldehydic 44.5%
    Melon 39.3%
    Powdery 38.25%
    Lily 37.79%
    Jasmin 32.83%

     

    Flavor
    Sweet 56.76%
    Floral 48.03%
    Spicy 42.49%
    Woody 40.17%
    Spice 39.92%
    Bitter 32.78%
    Herbal 32.46%
    Balsam 30.92%
    Flower 29.31%
    Vanilla 29.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.91 (neutral)

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 137.31 ˚C est.

    Solubility expt.

    • Insoluble
    • soluble (in ethanol)

  • Synonyms

    • 1205-17-0
    • Helional
    • 2-Methyl-3-(3,4-Methylenedioxyphenyl)Propanal
    • 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde
    • Heliobouquet
    • Helipropanal
    • Tropional
    • 3-(3,4-methylenedioxyphenyl)-2-methylpropanal
    • ocean propanal
    • 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal
    • 1,3-Benzodioxole-5-propanal, .alpha.-methyl-
    • 2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal
    • UNII-L65EG8H6PA
    • 1,3-Benzodioxole-5-propanal, alpha-methyl-
    • EINECS 214-881-6
    • alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde
    • NSC 22282
    • DTXSID7043908
    • MFCD00067053
    • NSC-22282
    • 3-(3,4-Methylenedioxyphenyl)-2-methyl-propanol
    • L65EG8H6PA
    • .alpha.-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde
    • DTXCID5023908
    • FEMA NO. 4599
    • Hydrocinnamaldehyde, .alpha.-methyl-3,4-(methylenedioxy)-
    • METHYLENEDIOXYPHENYL METHYLPROPANAL
    • alpha-Methyl-1,3-benzodioxole-5-propanal
    • .ALPHA.-METHYL-1,3-BENZODIOXOLE-5-PROPANAL
    • Floramelon
    • Heliofresh
    • (+/-)-3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL
    • .ALPHA.-METHYL-3,4-(METHYLENEDIOXY)HYDROCINNAMALDEHYDE
    • Heliogan
    • 3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL, (+/-)-
    • 2-piperonyl propanal
    • MMDHCA cpd
    • alpha-Methyl-1,3-benzodioxole-5-propionaldehyde
    • 1, .alpha.-methyl-
    • SCHEMBL112940
    • CHEMBL3183457
    • Hydrocinnamaldehyde, alpha-methyl-3,4-(methylenedioxy)-
    • BCP18791
    • NSC22282
    • Tox21_301642
    • STL300759
    • 3-(5-Benzodioxolyl)-2-methylpropanal
    • AKOS015914177
    • Hydrocinnamaldehyde,4-(methylenedioxy)-
    • ??-Methyl-1,3-benzodioxole-5-propanal
    • NCGC00255941-01
    • AS-15348
    • SY052437
    • CAS-1205-17-0
    • DB-041564
    • CS-0186664
    • M2404
    • NS00012851
    • 2-Methyl-3-(3,4-methyenedioxyphenyl)propanal
    • D70501
    • 2-methyl-3-(3,4-methylenedioxy-phenyl)propanal
    • 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal #
    • a-Methyl-3,4-(methylenedioxy)hydrocinnamaldehyde
    • METHYLENEDIOXYPHENYL METHYLPROPANAL [INCI]
    • alpha-methyl-3,4-(methylenedioxy)hydrocinnamaldehyde
    • 2-Methyl-3-(3,4-methyenedioxyphenyl) propionaldehyde
    • alpha-methyl-3,4-(methylenedioxy) hydrocinnamaldehyde
    • alpha-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde
    • Q16511833
    • 2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal, >=98%
    • 214-881-6

  • Applications

    3-(3,4-Methylenedioxyphenyl)-2-methylpropanal (CAS number: 1205-17-0) is typically used as a fragrance intermediate and odorant in the scent industry, serving as a precursor to benzodioxole-containing aroma compounds. In practical applications, it is often employed as a synthetic building block for more complex fragrance ingredients and notes in perfumery. In the flavor sector, it may be evaluated as a aroma precursor or flavor additive to develop specific flavor profiles, subject to regulatory limits. In cosmetics and personal care, it can function as a fragrance ingredient to impart distinctive scent in products. In household products and cleaners, it may be used to provide or enhance fragrance in formulations. In industrial manufacturing, it is used as a chemical intermediate for the synthesis of other benzodioxole-based compounds and related specialty chemicals. In coatings and inks, it can serve as a fragrance additive to impart pleasant odor in colored or clear coatings and printing products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.83
    methanol 290.21
    isopropanol 115.15
    water 2.29
    ethyl acetate 329.12
    n-propanol 116.38
    acetone 330.91
    n-butanol 108.32
    acetonitrile 291.16
    DMF 372.97
    toluene 49.89
    isobutanol 82.66
    1,4-dioxane 392.01
    methyl acetate 284.25
    THF 320.52
    2-butanone 206.19
    n-pentanol 83.18
    sec-butanol 78.41
    n-hexane 1.26
    ethylene glycol 155.86
    NMP 165.96
    cyclohexane 2.32
    DMSO 393.01
    n-butyl acetate 119.34
    n-octanol 33.52
    chloroform 432.37
    n-propyl acetate 152.27
    acetic acid 355.03
    dichloromethane 463.24
    cyclohexanone 172.12
    propylene glycol 116.55
    isopropyl acetate 165.93
    DMAc 309.15
    2-ethoxyethanol 364.88
    isopentanol 128.02
    n-heptane 1.77
    ethyl formate 176.22
    1,2-dichloroethane 316.86
    n-hexanol 76.22
    2-methoxyethanol 525.05
    isobutyl acetate 109.03
    tetrachloromethane 30.62
    n-pentyl acetate 57.41
    transcutol 1011.47
    n-heptanol 33.82
    ethylbenzene 31.87
    MIBK 129.93
    2-propoxyethanol 243.04
    tert-butanol 199.03
    MTBE 121.33
    2-butoxyethanol 114.11
    propionic acid 159.92
    o-xylene 37.79
    formic acid 308.08
    diethyl ether 124.81
    m-xylene 43.54
    p-xylene 42.45
    chlorobenzene 111.28
    dimethyl carbonate 147.23
    n-octane 1.43
    formamide 480.88
    cyclopentanone 227.07
    2-pentanone 171.68
    anisole 144.37
    cyclopentyl methyl ether 113.02
    gamma-butyrolactone 292.03
    1-methoxy-2-propanol 341.21
    pyridine 211.15
    3-pentanone 107.18
    furfural 329.18
    n-dodecane 2.31
    diethylene glycol 366.81
    diisopropyl ether 35.02
    tert-amyl alcohol 120.77
    acetylacetone 291.97
    n-hexadecane 2.63
    acetophenone 135.44
    methyl propionate 200.75
    isopentyl acetate 118.83
    trichloroethylene 596.8
    n-nonanol 32.61
    cyclohexanol 70.1
    benzyl alcohol 125.22
    2-ethylhexanol 45.51
    isooctanol 32.97
    dipropyl ether 37.87
    1,2-dichlorobenzene 113.18
    ethyl lactate 105.57
    propylene carbonate 208.04
    n-methylformamide 275.36
    2-pentanol 66.82
    n-pentane 1.24
    1-propoxy-2-propanol 138.62
    1-methoxy-2-propyl acetate 189.04
    2-(2-methoxypropoxy) propanol 161.4
    mesitylene 28.23
    ε-caprolactone 179.29
    p-cymene 24.91
    epichlorohydrin 494.27
    1,1,1-trichloroethane 183.62
    2-aminoethanol 183.36
    morpholine-4-carbaldehyde 326.46
    sulfolane 255.18
    2,2,4-trimethylpentane 2.74
    2-methyltetrahydrofuran 178.72
    n-hexyl acetate 85.93
    isooctane 2.76
    2-(2-butoxyethoxy)ethanol 221.25
    sec-butyl acetate 113.7
    tert-butyl acetate 166.51
    decalin 4.13
    glycerin 244.95
    diglyme 378.27
    acrylic acid 183.9
    isopropyl myristate 39.55
    n-butyric acid 215.72
    acetyl acetate 197.28
    di(2-ethylhexyl) phthalate 52.25
    ethyl propionate 125.59
    nitromethane 653.88
    1,2-diethoxyethane 191.91
    benzonitrile 136.5
    trioctyl phosphate 31.93
    1-bromopropane 80.01
    gamma-valerolactone 343.41
    n-decanol 26.67
    triethyl phosphate 57.89
    4-methyl-2-pentanol 64.99
    propionitrile 151.28
    vinylene carbonate 210.97
    1,1,2-trichlorotrifluoroethane 338.43
    DMS 137.3
    cumene 26.56
    2-octanol 23.43
    2-hexanone 111.7
    octyl acetate 47.96
    limonene 28.66
    1,2-dimethoxyethane 368.25
    ethyl orthosilicate 52.02
    tributyl phosphate 46.29
    diacetone alcohol 217.66
    N,N-dimethylaniline 74.1
    acrylonitrile 237.02
    aniline 110.48
    1,3-propanediol 251.74
    bromobenzene 105.74
    dibromomethane 214.02
    1,1,2,2-tetrachloroethane 379.45
    2-methyl-cyclohexyl acetate 76.81
    tetrabutyl urea 55.09
    diisobutyl methanol 33.64
    2-phenylethanol 105.98
    styrene 43.79
    dioctyl adipate 65.99
    dimethyl sulfate 180.44
    ethyl butyrate 87.67
    methyl lactate 148.28
    butyl lactate 68.75
    diethyl carbonate 79.34
    propanediol butyl ether 122.3
    triethyl orthoformate 68.29
    p-tert-butyltoluene 24.55
    methyl 4-tert-butylbenzoate 93.7
    morpholine 393.77
    tert-butylamine 73.56
    n-dodecanol 22.16
    dimethoxymethane 337.94
    ethylene carbonate 175.58
    cyrene 137.87
    2-ethoxyethyl acetate 143.07
    2-ethylhexyl acetate 83.63
    1,2,4-trichlorobenzene 131.91
    4-methylpyridine 179.18
    dibutyl ether 42.44
    2,6-dimethyl-4-heptanol 33.64
    DEF 176.56
    dimethyl isosorbide 207.42
    tetrachloroethylene 219.53
    eugenol 110.49
    triacetin 125.55
    span 80 94.91
    1,4-butanediol 112.23
    1,1-dichloroethane 243.16
    2-methyl-1-pentanol 91.53
    methyl formate 252.22
    2-methyl-1-butanol 91.59
    n-decane 2.97
    butyronitrile 130.53
    3,7-dimethyl-1-octanol 49.91
    1-chlorooctane 18.94
    1-chlorotetradecane 9.85
    n-nonane 2.33
    undecane 2.57
    tert-butylcyclohexane 4.15
    cyclooctane 1.3
    cyclopentanol 69.2
    tetrahydropyran 149.79
    tert-amyl methyl ether 81.18
    2,5,8-trioxanonane 273.94
    1-hexene 10.98
    2-isopropoxyethanol 225.32
    2,2,2-trifluoroethanol 201.13
    methyl butyrate 153.44

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.12 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.077 %
Category 2
Products applied to the axillae
 0.25 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.077 %
Category 3
Products applied to the face/body using fingertips
 0.039 % Category 8
Products with significant anogenital exposure
 0.026 %
Category 4
Products related to fine fragrance
 2.6 % Category 9
Products with body and hand exposure, primarily rinse off
 0.15 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.39 % Category 10A
Household care products with mostly hand contact
 0.15 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.077 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.62 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.077 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.026 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.026 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.026 %
Category 6
Products with oral and lip exposure
 0.62 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 12 %