Carpacin

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  • Identifiers

    CAS number
    194605-01-1

    Molecular formula
    C11H12O3

    SMILES
    C/C=C/C1=CC2=C(C=C1OC)OCO2

    Safety labels

  • Odor profile

    Fragrance
    Spicy 86.49%
    Sweet 53.15%
    Floral 43.58%
    Clove 42.95%
    Woody 42.58%
    Warm 40.9%
    Phenolic 35.55%
    Herbal 34.14%
    Balsamic 31.9%
    Smoky 30.16%

     

    Flavor
    Bitter 42.03%
    Spice 41.98%
    Spicy 27.55%
    Woody 27.34%
    Flower 25.46%
    Warm 22.73%
    Floral 21.25%
    Parsley 21.04%
    Balsam 20.18%
    Eugenol 19.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.03 (neutral)

    Molecular weight
    192.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    281°C

    Flash point

    • 122.22 ˚C est.

  • Synonyms

    • Carpacin
    • 5-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole
    • 5-methoxy-6-((E)-prop-1-enyl)-1,3-benzodioxole
    • RefChem:123803
    • (E)-Carpacin
    • Carpacin, (E)-
    • 194605-01-1
    • Z52RCE6A8B
    • 1,3-Benzodioxole, 5-methoxy-6-(1E)-1-propenyl-
    • UNII-Z52RCE6A8B
    • C10435
    • 5-Methoxy-6-(1-propen-1-yl)-1,3-benzodioxole
    • 1,3-Benzodioxole, 5-methoxy-6-(1-propen-1-yl)-
    • 5-Methoxy-6-(1E)-1-propen-1-yl-1,3-benzodioxole
    • 1,3-Benzodioxole, 5-methoxy-6-(1-propenyl)-, (E)-
    • 1,3-Benzodioxole, 5-methoxy-6-(1E)-1-propen-1-yl-
    • AC1NQZ15
    • CHEBI:3432
    • SCHEMBL27165431
    • DTXSID801027180
    • Q5045595
    • 5-Methoxy-6-[(1E)-1-propen-1-yl]-1,3-benzodioxole
    • 194605-01-1

  • Applications

    Carpacin (CAS 194605-01-1) is typically considered an intermediate in organic synthesis and may be used as a solvent or co-solvent in formulation processes. It may function as an odorant or fragrance component in perfumery and personal care products; it may be used as an additive in coatings, inks, and adhesives; and it can serve as a processing aid or stabilizer in polymer or plastics formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 156.77
    methanol 194.92
    isopropanol 109.92
    water 1.07
    ethyl acetate 224.92
    n-propanol 130.71
    acetone 242.25
    n-butanol 110.54
    acetonitrile 262.56
    DMF 376.88
    toluene 128.09
    isobutanol 96.11
    1,4-dioxane 450.7
    methyl acetate 280.66
    THF 340.85
    2-butanone 186.94
    n-pentanol 84.28
    sec-butanol 102.35
    n-hexane 4.35
    ethylene glycol 165.22
    NMP 240.16
    cyclohexane 21.63
    DMSO 447.83
    n-butyl acetate 104.55
    n-octanol 53.78
    chloroform 723.24
    n-propyl acetate 122.26
    acetic acid 221.56
    dichloromethane 770.3
    cyclohexanone 211.54
    propylene glycol 123.65
    isopropyl acetate 106.13
    DMAc 323.88
    2-ethoxyethanol 227.93
    isopentanol 96.38
    n-heptane 8.6
    ethyl formate 194.43
    1,2-dichloroethane 414.05
    n-hexanol 86.23
    2-methoxyethanol 390.22
    isobutyl acetate 82.48
    tetrachloromethane 102.21
    n-pentyl acetate 69.35
    transcutol 379.09
    n-heptanol 48.84
    ethylbenzene 61.2
    MIBK 85.98
    2-propoxyethanol 200.61
    tert-butanol 173.69
    MTBE 106.58
    2-butoxyethanol 109.62
    propionic acid 155.63
    o-xylene 81.64
    formic acid 121.02
    diethyl ether 118.55
    m-xylene 80.3
    p-xylene 84.12
    chlorobenzene 177.3
    dimethyl carbonate 156.76
    n-octane 5.74
    formamide 217.33
    cyclopentanone 260.95
    2-pentanone 124.79
    anisole 163.86
    cyclopentyl methyl ether 139.52
    gamma-butyrolactone 322.49
    1-methoxy-2-propanol 223.09
    pyridine 332.74
    3-pentanone 113.1
    furfural 339.82
    n-dodecane 7.79
    diethylene glycol 265.3
    diisopropyl ether 34.14
    tert-amyl alcohol 118.28
    acetylacetone 198.23
    n-hexadecane 8.91
    acetophenone 146.09
    methyl propionate 195.35
    isopentyl acetate 96.61
    trichloroethylene 715.29
    n-nonanol 50.3
    cyclohexanol 122.91
    benzyl alcohol 144.71
    2-ethylhexanol 57.87
    isooctanol 42.14
    dipropyl ether 58.34
    1,2-dichlorobenzene 162.85
    ethyl lactate 87.61
    propylene carbonate 207.4
    n-methylformamide 221.48
    2-pentanol 70.7
    n-pentane 5.99
    1-propoxy-2-propanol 110.53
    1-methoxy-2-propyl acetate 125.53
    2-(2-methoxypropoxy) propanol 124.0
    mesitylene 48.88
    ε-caprolactone 191.54
    p-cymene 43.31
    epichlorohydrin 450.61
    1,1,1-trichloroethane 313.24
    2-aminoethanol 157.69
    morpholine-4-carbaldehyde 327.99
    sulfolane 318.63
    2,2,4-trimethylpentane 7.14
    2-methyltetrahydrofuran 221.53
    n-hexyl acetate 98.53
    isooctane 5.51
    2-(2-butoxyethoxy)ethanol 152.84
    sec-butyl acetate 80.99
    tert-butyl acetate 107.36
    decalin 14.58
    glycerin 209.56
    diglyme 299.81
    acrylic acid 169.99
    isopropyl myristate 50.08
    n-butyric acid 169.53
    acetyl acetate 174.66
    di(2-ethylhexyl) phthalate 59.76
    ethyl propionate 115.24
    nitromethane 393.87
    1,2-diethoxyethane 120.8
    benzonitrile 171.04
    trioctyl phosphate 42.33
    1-bromopropane 160.4
    gamma-valerolactone 292.44
    n-decanol 41.47
    triethyl phosphate 65.38
    4-methyl-2-pentanol 46.5
    propionitrile 165.8
    vinylene carbonate 226.38
    1,1,2-trichlorotrifluoroethane 327.78
    DMS 123.15
    cumene 43.98
    2-octanol 33.94
    2-hexanone 97.96
    octyl acetate 62.1
    limonene 52.47
    1,2-dimethoxyethane 299.62
    ethyl orthosilicate 60.52
    tributyl phosphate 50.83
    diacetone alcohol 134.41
    N,N-dimethylaniline 100.87
    acrylonitrile 243.92
    aniline 166.49
    1,3-propanediol 201.02
    bromobenzene 203.66
    dibromomethane 413.64
    1,1,2,2-tetrachloroethane 510.75
    2-methyl-cyclohexyl acetate 85.77
    tetrabutyl urea 66.14
    diisobutyl methanol 40.21
    2-phenylethanol 120.49
    styrene 81.39
    dioctyl adipate 77.73
    dimethyl sulfate 202.53
    ethyl butyrate 96.86
    methyl lactate 131.27
    butyl lactate 65.8
    diethyl carbonate 92.78
    propanediol butyl ether 99.28
    triethyl orthoformate 74.18
    p-tert-butyltoluene 41.68
    methyl 4-tert-butylbenzoate 106.54
    morpholine 387.47
    tert-butylamine 93.68
    n-dodecanol 35.89
    dimethoxymethane 290.72
    ethylene carbonate 187.98
    cyrene 134.47
    2-ethoxyethyl acetate 117.96
    2-ethylhexyl acetate 79.08
    1,2,4-trichlorobenzene 195.58
    4-methylpyridine 240.83
    dibutyl ether 55.4
    2,6-dimethyl-4-heptanol 40.21
    DEF 162.79
    dimethyl isosorbide 180.28
    tetrachloroethylene 318.52
    eugenol 119.3
    triacetin 119.78
    span 80 89.69
    1,4-butanediol 94.06
    1,1-dichloroethane 333.52
    2-methyl-1-pentanol 81.77
    methyl formate 239.3
    2-methyl-1-butanol 91.46
    n-decane 10.52
    butyronitrile 141.69
    3,7-dimethyl-1-octanol 58.04
    1-chlorooctane 43.05
    1-chlorotetradecane 23.83
    n-nonane 9.29
    undecane 8.77
    tert-butylcyclohexane 11.94
    cyclooctane 8.01
    cyclopentanol 132.89
    tetrahydropyran 227.54
    tert-amyl methyl ether 80.19
    2,5,8-trioxanonane 218.41
    1-hexene 23.0
    2-isopropoxyethanol 145.26
    2,2,2-trifluoroethanol 133.16
    methyl butyrate 143.64

    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