2,2-Dimethyl-6-vinylchromene

  • Identifiers

    Molecular formula
    C13H14O

    SMILES
    CC1(C=CC2=C(O1)C=CC(=C2)C=C)C

  • Odor profile

    Fragrance
    Spicy 57.54%
    Sweet 57.36%
    Herbal 56.15%
    Floral 55.13%
    Woody 44.46%
    Phenolic 38.27%
    Mint 37.63%
    Warm 30.74%
    Tobacco 30.62%
    Powdery 30.46%

     

    Flavor
    Floral 37.71%
    Woody 35.57%
    Sweet 33.13%
    Herbal 31.92%
    Bitter 30.61%
    Spice 30.51%
    Minty 28.9%
    Spicy 27.13%
    Mint 24.34%
    Tobacco 21.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.77 (neutral)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    286°C

    Flash point

    • 114.83 ˚C est.

  • Synonyms

    • 2,2-dimethyl-6-vinylchromene
    • SCHEMBL3127352
    • CHEMBL1824098
  • Applications

    2,2-Dimethyl-6-vinylchromene is an organic intermediate with practical industrial applications: it is used as a fragrance intermediate and cosmetic ingredient; regarded as a precursor for aroma-related compounds and for specialty polymer systems; it can act as a monomer or comonomer in polymer formulations; it is employed in coatings and inks as a colorant or photonic-functional component; and it can serve as an intermediate in general industrial manufacturing, including pharmaceutical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 158.5
    methanol 128.07
    isopropanol 156.36
    water 0.24
    ethyl acetate 309.86
    n-propanol 158.55
    acetone 309.69
    n-butanol 173.83
    acetonitrile 175.18
    DMF 454.06
    toluene 223.1
    isobutanol 145.33
    1,4-dioxane 661.09
    methyl acetate 357.22
    THF 801.79
    2-butanone 345.88
    n-pentanol 150.45
    sec-butanol 164.62
    n-hexane 95.13
    ethylene glycol 45.98
    NMP 326.67
    cyclohexane 97.36
    DMSO 323.73
    n-butyl acetate 299.5
    n-octanol 145.04
    chloroform 764.46
    n-propyl acetate 202.42
    acetic acid 97.52
    dichloromethane 621.05
    cyclohexanone 380.36
    propylene glycol 84.77
    isopropyl acetate 205.51
    DMAc 537.06
    2-ethoxyethanol 233.05
    isopentanol 184.14
    n-heptane 62.5
    ethyl formate 136.58
    1,2-dichloroethane 419.72
    n-hexanol 243.95
    2-methoxyethanol 291.95
    isobutyl acetate 180.23
    tetrachloromethane 102.08
    n-pentyl acetate 180.72
    transcutol 1047.3
    n-heptanol 113.94
    ethylbenzene 154.17
    MIBK 206.49
    2-propoxyethanol 400.68
    tert-butanol 242.28
    MTBE 412.51
    2-butoxyethanol 187.46
    propionic acid 125.74
    o-xylene 150.47
    formic acid 29.87
    diethyl ether 404.52
    m-xylene 170.77
    p-xylene 182.84
    chlorobenzene 246.12
    dimethyl carbonate 177.69
    n-octane 35.62
    formamide 55.68
    cyclopentanone 417.07
    2-pentanone 260.22
    anisole 308.98
    cyclopentyl methyl ether 370.58
    gamma-butyrolactone 377.5
    1-methoxy-2-propanol 302.1
    pyridine 320.59
    3-pentanone 272.93
    furfural 342.6
    n-dodecane 34.26
    diethylene glycol 254.37
    diisopropyl ether 165.32
    tert-amyl alcohol 219.64
    acetylacetone 310.93
    n-hexadecane 39.23
    acetophenone 225.87
    methyl propionate 281.62
    isopentyl acetate 296.77
    trichloroethylene 684.89
    n-nonanol 134.27
    cyclohexanol 180.4
    benzyl alcohol 164.98
    2-ethylhexanol 174.51
    isooctanol 104.61
    dipropyl ether 236.98
    1,2-dichlorobenzene 235.72
    ethyl lactate 112.0
    propylene carbonate 240.16
    n-methylformamide 128.99
    2-pentanol 160.27
    n-pentane 63.36
    1-propoxy-2-propanol 286.59
    1-methoxy-2-propyl acetate 325.88
    2-(2-methoxypropoxy) propanol 260.51
    mesitylene 124.12
    ε-caprolactone 328.36
    p-cymene 102.37
    epichlorohydrin 549.16
    1,1,1-trichloroethane 379.34
    2-aminoethanol 83.97
    morpholine-4-carbaldehyde 472.73
    sulfolane 387.7
    2,2,4-trimethylpentane 45.12
    2-methyltetrahydrofuran 510.4
    n-hexyl acetate 288.07
    isooctane 43.64
    2-(2-butoxyethoxy)ethanol 324.66
    sec-butyl acetate 179.59
    tert-butyl acetate 258.77
    decalin 69.42
    glycerin 107.23
    diglyme 556.55
    acrylic acid 105.71
    isopropyl myristate 148.7
    n-butyric acid 161.03
    acetyl acetate 193.41
    di(2-ethylhexyl) phthalate 119.19
    ethyl propionate 200.53
    nitromethane 218.77
    1,2-diethoxyethane 484.65
    benzonitrile 199.81
    trioctyl phosphate 91.38
    1-bromopropane 291.52
    gamma-valerolactone 497.33
    n-decanol 111.65
    triethyl phosphate 124.46
    4-methyl-2-pentanol 131.95
    propionitrile 180.71
    vinylene carbonate 237.05
    1,1,2-trichlorotrifluoroethane 277.93
    DMS 305.72
    cumene 115.04
    2-octanol 96.72
    2-hexanone 237.21
    octyl acetate 173.43
    limonene 148.69
    1,2-dimethoxyethane 452.42
    ethyl orthosilicate 127.22
    tributyl phosphate 122.4
    diacetone alcohol 238.87
    N,N-dimethylaniline 209.03
    acrylonitrile 187.59
    aniline 183.0
    1,3-propanediol 130.22
    bromobenzene 290.15
    dibromomethane 418.7
    1,1,2,2-tetrachloroethane 591.69
    2-methyl-cyclohexyl acetate 200.08
    tetrabutyl urea 147.97
    diisobutyl methanol 115.59
    2-phenylethanol 199.77
    styrene 178.19
    dioctyl adipate 174.15
    dimethyl sulfate 225.73
    ethyl butyrate 196.32
    methyl lactate 134.42
    butyl lactate 134.77
    diethyl carbonate 153.29
    propanediol butyl ether 197.02
    triethyl orthoformate 163.69
    p-tert-butyltoluene 109.52
    methyl 4-tert-butylbenzoate 208.07
    morpholine 550.06
    tert-butylamine 180.74
    n-dodecanol 95.71
    dimethoxymethane 422.82
    ethylene carbonate 209.41
    cyrene 199.83
    2-ethoxyethyl acetate 275.1
    2-ethylhexyl acetate 255.09
    1,2,4-trichlorobenzene 283.93
    4-methylpyridine 350.44
    dibutyl ether 265.01
    2,6-dimethyl-4-heptanol 115.59
    DEF 278.08
    dimethyl isosorbide 401.33
    tetrachloroethylene 327.63
    eugenol 182.69
    triacetin 289.25
    span 80 204.29
    1,4-butanediol 71.75
    1,1-dichloroethane 390.61
    2-methyl-1-pentanol 172.96
    methyl formate 128.09
    2-methyl-1-butanol 173.13
    n-decane 50.14
    butyronitrile 172.56
    3,7-dimethyl-1-octanol 168.02
    1-chlorooctane 153.02
    1-chlorotetradecane 78.03
    n-nonane 51.74
    undecane 40.59
    tert-butylcyclohexane 69.66
    cyclooctane 48.75
    cyclopentanol 160.44
    tetrahydropyran 532.8
    tert-amyl methyl ether 309.73
    2,5,8-trioxanonane 416.98
    1-hexene 189.56
    2-isopropoxyethanol 212.98
    2,2,2-trifluoroethanol 56.32
    methyl butyrate 223.22

    Scent© AI

1 of 4
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
Name CAS Botanical Proportion
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.2%