6-Vinyl-7-methoxy-2,2-dimethylchromene

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  • Identifiers

    CAS number
    62458-61-1

    Molecular formula
    C14H16O2

    SMILES
    CC1(C=CC2=CC(=C(C=C2O1)OC)C=C)C

    Retention indicies (RI)

    • Carbowax: 2354.0

  • Odor profile

    Spicy 64.0%
    Herbal 57.75%
    Sweet 51.61%
    Woody 50.86%
    Phenolic 42.5%
    Mint 41.12%
    Floral 33.9%
    Warm 30.61%
    Tobacco 30.22%
    Medicinal 29.66%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    216.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point est.
    130.45 ˚C

  • Synonyms

    • 62458-61-1
    • 6-Vinyl-7-methoxy-2,2-dimethylchromene
    • 6-ethenyl-7-methoxy-2,2-dimethyl-2h-chromene
    • 7-Methoxy-2,2-dimethyl-6-vinyl-2H-chromene
    • Audroenececalinol
    • Anhydroencecalinol
    • SCHEMBL15477922
    • DTXSID10978024
    • RRUFTPKJXNXMAE-UHFFFAOYSA-N
    • Chromene, 6-ethenyl-7-methoxy, 2,2-dimethyl
    • 6-Ethenyl-7-methoxy-2,2-dimethyl-2H-1-benzopyran

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 108.84
    methanol 109.51
    isopropanol 104.91
    water 0.28
    ethyl acetate 327.19
    n-propanol 118.09
    acetone 300.32
    n-butanol 132.17
    acetonitrile 178.21
    DMF 505.8
    toluene 271.59
    isobutanol 110.36
    1,4-dioxane 734.14
    methyl acetate 330.77
    THF 865.47
    2-butanone 289.33
    n-pentanol 95.61
    sec-butanol 104.94
    n-hexane 36.12
    ethylene glycol 45.76
    NMP 467.96
    cyclohexane 96.14
    DMSO 357.47
    n-butyl acetate 225.22
    n-octanol 83.54
    chloroform 1026.03
    n-propyl acetate 166.4
    acetic acid 159.71
    dichloromethane 845.26
    cyclohexanone 441.13
    propylene glycol 61.12
    isopropyl acetate 201.37
    DMAc 598.2
    2-ethoxyethanol 197.51
    isopentanol 150.27
    n-heptane 28.25
    ethyl formate 161.51
    1,2-dichloroethane 574.95
    n-hexanol 154.57
    2-methoxyethanol 302.43
    isobutyl acetate 143.22
    tetrachloromethane 127.72
    n-pentyl acetate 137.51
    transcutol 806.12
    n-heptanol 70.59
    ethylbenzene 119.33
    MIBK 176.67
    2-propoxyethanol 301.46
    tert-butanol 201.54
    MTBE 299.61
    2-butoxyethanol 138.2
    propionic acid 134.1
    o-xylene 153.01
    formic acid 52.27
    diethyl ether 321.15
    m-xylene 169.37
    p-xylene 147.99
    chlorobenzene 303.81
    dimethyl carbonate 217.2
    n-octane 14.81
    formamide 83.45
    cyclopentanone 498.09
    2-pentanone 242.46
    anisole 266.32
    cyclopentyl methyl ether 404.28
    gamma-butyrolactone 534.57
    1-methoxy-2-propanol 250.94
    pyridine 386.0
    3-pentanone 261.26
    furfural 452.77
    n-dodecane 16.06
    diethylene glycol 235.72
    diisopropyl ether 117.87
    tert-amyl alcohol 157.17
    acetylacetone 324.59
    n-hexadecane 18.96
    acetophenone 204.93
    methyl propionate 301.87
    isopentyl acetate 220.76
    trichloroethylene 998.28
    n-nonanol 80.52
    cyclohexanol 202.85
    benzyl alcohol 152.28
    2-ethylhexanol 112.76
    isooctanol 66.35
    dipropyl ether 152.18
    1,2-dichlorobenzene 283.95
    ethyl lactate 101.99
    propylene carbonate 325.11
    n-methylformamide 153.94
    2-pentanol 107.42
    n-pentane 34.01
    1-propoxy-2-propanol 192.06
    1-methoxy-2-propyl acetate 275.02
    2-(2-methoxypropoxy) propanol 194.66
    mesitylene 114.4
    ε-caprolactone 383.95
    p-cymene 77.87
    epichlorohydrin 706.86
    1,1,1-trichloroethane 511.96
    2-aminoethanol 69.67
    morpholine-4-carbaldehyde 548.59
    sulfolane 497.92
    2,2,4-trimethylpentane 28.61
    2-methyltetrahydrofuran 570.09
    n-hexyl acetate 218.41
    isooctane 22.84
    2-(2-butoxyethoxy)ethanol 246.74
    sec-butyl acetate 146.75
    tert-butyl acetate 231.65
    decalin 49.09
    glycerin 105.92
    diglyme 485.41
    acrylic acid 130.49
    isopropyl myristate 103.2
    n-butyric acid 185.87
    acetyl acetate 247.56
    di(2-ethylhexyl) phthalate 100.1
    ethyl propionate 187.0
    nitromethane 329.92
    1,2-diethoxyethane 322.71
    benzonitrile 203.55
    trioctyl phosphate 70.83
    1-bromopropane 284.55
    gamma-valerolactone 592.67
    n-decanol 63.72
    triethyl phosphate 114.66
    4-methyl-2-pentanol 87.11
    propionitrile 160.28
    vinylene carbonate 319.1
    1,1,2-trichlorotrifluoroethane 361.11
    DMS 268.39
    cumene 84.37
    2-octanol 53.95
    2-hexanone 165.53
    octyl acetate 128.08
    limonene 113.15
    1,2-dimethoxyethane 415.11
    ethyl orthosilicate 111.46
    tributyl phosphate 97.31
    diacetone alcohol 219.41
    N,N-dimethylaniline 166.34
    acrylonitrile 180.48
    aniline 218.53
    1,3-propanediol 118.91
    bromobenzene 358.49
    dibromomethane 534.87
    1,1,2,2-tetrachloroethane 850.42
    2-methyl-cyclohexyl acetate 164.22
    tetrabutyl urea 115.8
    diisobutyl methanol 73.3
    2-phenylethanol 169.9
    styrene 147.81
    dioctyl adipate 140.3
    dimethyl sulfate 284.86
    ethyl butyrate 163.48
    methyl lactate 139.43
    butyl lactate 103.58
    diethyl carbonate 141.79
    propanediol butyl ether 128.08
    triethyl orthoformate 140.26
    p-tert-butyltoluene 81.92
    methyl 4-tert-butylbenzoate 182.22
    morpholine 628.82
    tert-butylamine 129.94
    n-dodecanol 53.23
    dimethoxymethane 450.01
    ethylene carbonate 284.7
    cyrene 195.36
    2-ethoxyethyl acetate 230.38
    2-ethylhexyl acetate 195.1
    1,2,4-trichlorobenzene 336.09
    4-methylpyridine 398.89
    dibutyl ether 145.93
    2,6-dimethyl-4-heptanol 73.3
    DEF 319.78
    dimethyl isosorbide 360.22
    tetrachloroethylene 474.19
    eugenol 155.33
    triacetin 242.25
    span 80 150.76
    1,4-butanediol 55.55
    1,1-dichloroethane 482.99
    2-methyl-1-pentanol 119.03
    methyl formate 175.04
    2-methyl-1-butanol 136.27
    n-decane 24.29
    butyronitrile 156.65
    3,7-dimethyl-1-octanol 101.21
    1-chlorooctane 93.6
    1-chlorotetradecane 45.98
    n-nonane 22.91
    undecane 19.28
    tert-butylcyclohexane 42.03
    cyclooctane 37.29
    cyclopentanol 179.85
    tetrahydropyran 564.77
    tert-amyl methyl ether 232.94
    2,5,8-trioxanonane 357.62
    1-hexene 88.05
    2-isopropoxyethanol 159.45
    2,2,2-trifluoroethanol 90.69
    methyl butyrate 203.73

    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

Botanical

Name CAS Botanical Proportion
Ageratum conyzoides flower (Pakistan) Ageratum conyzoides L., fam. Asteraceae (Compositae) 1.6%
Ageratum conyzoides leaf and stem (Pakistan) Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.05%
Ageratum conyzoides leaf (Cameroon) Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.2%
Ageratum conyzoides (Nigeria) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.37%