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

    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%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    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 est.
    137.31 ˚C

    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

  • 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 %