1,3-Benzodioxole-5-carboxylic acid, ethyl ester

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  • Identifiers

    CAS number
    6951-08-2

    Molecular formula
    C10H10O4

    SMILES
    CCOC(=O)C1=CC2=C(C=C1)OCO2

  • Odor profile

    Floral 80.42%
    Sweet 70.56%
    Powdery 48.09%
    Vanilla 46.19%
    Spicy 42.96%
    Balsamic 40.51%
    Aromatic 35.96%
    Anisic 33.61%
    Cherry 32.18%
    Fruity 31.37%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    194.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    279°C

    Flash point est.
    135.94 ˚C

  • Synonyms

    • Ethyl benzo[d][1,3]dioxole-5-carboxylate
    • 6951-08-2
    • ethyl 1,3-benzodioxole-5-carboxylate
    • 1,3-BENZODIOXOLE-5-CARBOXYLIC ACID ETHYL ESTER
    • Piperonylic acid, ethyl ester
    • Ethyl piperonylate
    • Ethyl 3,4-(methylenedioxy)benzoate
    • 1,3-Benzodioxole-5-carboxylic acid, ethyl ester
    • AI3-03815
    • EINECS 230-125-8
    • NSC 49217
    • NSC-49217
    • ethyl 2H-1,3-benzodioxole-5-carboxylate
    • MFCD00798034
    • Ethylbenzo[d][1,3]dioxole-5-carboxylate
    • 6RW78ZBY4K
    • SCHEMBL1640023
    • DTXSID7052440
    • NSC49217
    • AKOS008947912
    • AS-83259
    • DB-250041
    • CS-0455000
    • NS00043699
    • S11649

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.62
    methanol 61.57
    isopropanol 35.91
    water 1.31
    ethyl acetate 191.66
    n-propanol 29.07
    acetone 320.32
    n-butanol 31.93
    acetonitrile 317.1
    DMF 545.09
    toluene 59.71
    isobutanol 29.06
    1,4-dioxane 248.47
    methyl acetate 220.91
    THF 248.13
    2-butanone 184.04
    n-pentanol 35.78
    sec-butanol 41.15
    n-hexane 2.94
    ethylene glycol 38.94
    NMP 413.06
    cyclohexane 5.3
    DMSO 670.93
    n-butyl acetate 113.33
    n-octanol 24.28
    chloroform 361.03
    n-propyl acetate 147.65
    acetic acid 233.39
    dichloromethane 480.15
    cyclohexanone 190.96
    propylene glycol 22.55
    isopropyl acetate 128.75
    DMAc 500.93
    2-ethoxyethanol 178.12
    isopentanol 48.16
    n-heptane 3.35
    ethyl formate 112.71
    1,2-dichloroethane 307.69
    n-hexanol 33.77
    2-methoxyethanol 223.25
    isobutyl acetate 83.24
    tetrachloromethane 35.26
    n-pentyl acetate 59.58
    transcutol 581.78
    n-heptanol 21.22
    ethylbenzene 49.87
    MIBK 100.43
    2-propoxyethanol 128.33
    tert-butanol 92.37
    MTBE 96.96
    2-butoxyethanol 76.11
    propionic acid 93.44
    o-xylene 55.35
    formic acid 154.25
    diethyl ether 97.78
    m-xylene 46.12
    p-xylene 71.14
    chlorobenzene 129.88
    dimethyl carbonate 171.1
    n-octane 2.29
    formamide 419.68
    cyclopentanone 275.86
    2-pentanone 140.94
    anisole 186.49
    cyclopentyl methyl ether 109.3
    gamma-butyrolactone 384.83
    1-methoxy-2-propanol 142.1
    pyridine 270.76
    3-pentanone 130.61
    furfural 425.64
    n-dodecane 3.09
    diethylene glycol 155.13
    diisopropyl ether 37.07
    tert-amyl alcohol 85.2
    acetylacetone 317.76
    n-hexadecane 3.73
    acetophenone 197.92
    methyl propionate 160.54
    isopentyl acetate 98.84
    trichloroethylene 644.84
    n-nonanol 25.23
    cyclohexanol 49.44
    benzyl alcohol 122.97
    2-ethylhexanol 31.56
    isooctanol 22.2
    dipropyl ether 46.9
    1,2-dichlorobenzene 147.04
    ethyl lactate 85.19
    propylene carbonate 196.83
    n-methylformamide 232.24
    2-pentanol 32.47
    n-pentane 2.27
    1-propoxy-2-propanol 80.55
    1-methoxy-2-propyl acetate 139.4
    2-(2-methoxypropoxy) propanol 141.97
    mesitylene 32.7
    ε-caprolactone 184.42
    p-cymene 31.53
    epichlorohydrin 436.59
    1,1,1-trichloroethane 196.38
    2-aminoethanol 48.51
    morpholine-4-carbaldehyde 487.72
    sulfolane 433.89
    2,2,4-trimethylpentane 4.23
    2-methyltetrahydrofuran 160.98
    n-hexyl acetate 86.74
    isooctane 2.71
    2-(2-butoxyethoxy)ethanol 148.66
    sec-butyl acetate 102.21
    tert-butyl acetate 150.97
    decalin 7.27
    glycerin 76.95
    diglyme 363.13
    acrylic acid 136.78
    isopropyl myristate 44.37
    n-butyric acid 104.76
    acetyl acetate 206.45
    di(2-ethylhexyl) phthalate 49.12
    ethyl propionate 134.69
    nitromethane 789.39
    1,2-diethoxyethane 149.24
    benzonitrile 165.8
    trioctyl phosphate 31.07
    1-bromopropane 78.41
    gamma-valerolactone 378.68
    n-decanol 20.55
    triethyl phosphate 72.31
    4-methyl-2-pentanol 30.8
    propionitrile 134.46
    vinylene carbonate 217.53
    1,1,2-trichlorotrifluoroethane 305.78
    DMS 163.24
    cumene 36.71
    2-octanol 17.68
    2-hexanone 111.02
    octyl acetate 52.68
    limonene 37.17
    1,2-dimethoxyethane 320.03
    ethyl orthosilicate 59.69
    tributyl phosphate 48.19
    diacetone alcohol 152.95
    N,N-dimethylaniline 114.18
    acrylonitrile 271.01
    aniline 105.23
    1,3-propanediol 67.46
    bromobenzene 134.62
    dibromomethane 219.88
    1,1,2,2-tetrachloroethane 360.69
    2-methyl-cyclohexyl acetate 82.49
    tetrabutyl urea 63.79
    diisobutyl methanol 26.27
    2-phenylethanol 82.12
    styrene 74.97
    dioctyl adipate 78.37
    dimethyl sulfate 322.08
    ethyl butyrate 103.44
    methyl lactate 107.34
    butyl lactate 56.41
    diethyl carbonate 97.53
    propanediol butyl ether 69.12
    triethyl orthoformate 77.8
    p-tert-butyltoluene 29.24
    methyl 4-tert-butylbenzoate 117.23
    morpholine 218.8
    tert-butylamine 45.6
    n-dodecanol 17.9
    dimethoxymethane 285.73
    ethylene carbonate 161.29
    cyrene 148.41
    2-ethoxyethyl acetate 119.64
    2-ethylhexyl acetate 80.31
    1,2,4-trichlorobenzene 178.53
    4-methylpyridine 214.0
    dibutyl ether 47.54
    2,6-dimethyl-4-heptanol 26.27
    DEF 212.58
    dimethyl isosorbide 225.11
    tetrachloroethylene 234.84
    eugenol 121.99
    triacetin 157.89
    span 80 78.58
    1,4-butanediol 40.31
    1,1-dichloroethane 185.28
    2-methyl-1-pentanol 50.16
    methyl formate 216.96
    2-methyl-1-butanol 41.62
    n-decane 4.24
    butyronitrile 92.05
    3,7-dimethyl-1-octanol 34.98
    1-chlorooctane 21.27
    1-chlorotetradecane 12.16
    n-nonane 3.4
    undecane 3.5
    tert-butylcyclohexane 5.75
    cyclooctane 2.63
    cyclopentanol 53.36
    tetrahydropyran 111.43
    tert-amyl methyl ether 83.83
    2,5,8-trioxanonane 254.01
    1-hexene 16.45
    2-isopropoxyethanol 125.09
    2,2,2-trifluoroethanol 168.68
    methyl butyrate 152.72

    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