7-Hydroxy-2,2-dimethylchromene

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  • Identifiers

    CAS number
    19012-97-6

    Molecular formula
    C11H12O2

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

    Retention indicies (RI)

    • Carbowax: 2266.0

  • Odor profile

    Phenolic 61.23%
    Sweet 53.86%
    Spicy 45.86%
    Woody 35.46%
    Medicinal 35.06%
    Smoky 30.43%
    Leathery 29.38%
    Animal 28.7%
    Herbal 28.08%
    Tobacco 27.22%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.57 (weak base)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point est.
    132.35 ˚C

  • Synonyms

    • 7-Hydroxy-2,2-dimethylchromene
    • 19012-97-6
    • 2,2-dimethyl-2H-chromen-7-ol
    • 2,2-dimethylchromen-7-ol
    • 2H-1-Benzopyran-7-ol, 2,2-dimethyl-
    • 2,2-dimethyl-7-hydroxychromene
    • GFXPDSJDSLEZTB-UHFFFAOYSA-N
    • AKOS022639411
    • CS-0149245

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 113.98
    methanol 165.07
    isopropanol 120.95
    water 2.54
    ethyl acetate 171.85
    n-propanol 100.65
    acetone 362.57
    n-butanol 93.4
    acetonitrile 285.51
    DMF 530.42
    toluene 52.6
    isobutanol 91.1
    1,4-dioxane 428.2
    methyl acetate 268.37
    THF 488.86
    2-butanone 228.98
    n-pentanol 68.17
    sec-butanol 92.53
    n-hexane 8.57
    ethylene glycol 68.78
    NMP 292.99
    cyclohexane 17.03
    DMSO 452.2
    n-butyl acetate 121.71
    n-octanol 81.01
    chloroform 239.56
    n-propyl acetate 112.33
    acetic acid 122.64
    dichloromethane 245.29
    cyclohexanone 236.62
    propylene glycol 103.17
    isopropyl acetate 88.93
    DMAc 431.6
    2-ethoxyethanol 123.8
    isopentanol 83.1
    n-heptane 17.94
    ethyl formate 148.98
    1,2-dichloroethane 139.61
    n-hexanol 115.06
    2-methoxyethanol 258.22
    isobutyl acetate 77.61
    tetrachloromethane 31.57
    n-pentyl acetate 79.16
    transcutol 394.53
    n-heptanol 58.48
    ethylbenzene 40.71
    MIBK 94.12
    2-propoxyethanol 224.16
    tert-butanol 194.6
    MTBE 129.39
    2-butoxyethanol 102.23
    propionic acid 125.46
    o-xylene 53.2
    formic acid 48.04
    diethyl ether 109.85
    m-xylene 49.24
    p-xylene 60.16
    chlorobenzene 77.25
    dimethyl carbonate 141.49
    n-octane 8.45
    formamide 110.83
    cyclopentanone 338.74
    2-pentanone 154.09
    anisole 129.58
    cyclopentyl methyl ether 153.2
    gamma-butyrolactone 374.75
    1-methoxy-2-propanol 214.43
    pyridine 147.99
    3-pentanone 133.42
    furfural 255.93
    n-dodecane 12.26
    diethylene glycol 204.76
    diisopropyl ether 39.87
    tert-amyl alcohol 120.7
    acetylacetone 208.47
    n-hexadecane 13.41
    acetophenone 114.6
    methyl propionate 181.16
    isopentyl acetate 106.18
    trichloroethylene 244.81
    n-nonanol 72.91
    cyclohexanol 88.13
    benzyl alcohol 84.46
    2-ethylhexanol 72.21
    isooctanol 47.91
    dipropyl ether 99.43
    1,2-dichlorobenzene 76.72
    ethyl lactate 81.04
    propylene carbonate 186.79
    n-methylformamide 203.63
    2-pentanol 67.25
    n-pentane 8.98
    1-propoxy-2-propanol 150.73
    1-methoxy-2-propyl acetate 157.58
    2-(2-methoxypropoxy) propanol 150.35
    mesitylene 37.53
    ε-caprolactone 189.03
    p-cymene 46.54
    epichlorohydrin 339.13
    1,1,1-trichloroethane 140.7
    2-aminoethanol 93.78
    morpholine-4-carbaldehyde 384.47
    sulfolane 342.3
    2,2,4-trimethylpentane 9.41
    2-methyltetrahydrofuran 245.81
    n-hexyl acetate 138.2
    isooctane 8.2
    2-(2-butoxyethoxy)ethanol 177.98
    sec-butyl acetate 72.46
    tert-butyl acetate 101.57
    decalin 13.1
    glycerin 129.55
    diglyme 304.27
    acrylic acid 113.98
    isopropyl myristate 72.5
    n-butyric acid 117.12
    acetyl acetate 128.88
    di(2-ethylhexyl) phthalate 72.53
    ethyl propionate 113.15
    nitromethane 372.56
    1,2-diethoxyethane 168.56
    benzonitrile 115.02
    trioctyl phosphate 58.36
    1-bromopropane 73.49
    gamma-valerolactone 369.88
    n-decanol 63.86
    triethyl phosphate 70.54
    4-methyl-2-pentanol 48.96
    propionitrile 171.38
    vinylene carbonate 195.71
    1,1,2-trichlorotrifluoroethane 173.77
    DMS 161.18
    cumene 36.32
    2-octanol 45.56
    2-hexanone 111.06
    octyl acetate 93.05
    limonene 64.19
    1,2-dimethoxyethane 270.51
    ethyl orthosilicate 61.66
    tributyl phosphate 74.61
    diacetone alcohol 139.61
    N,N-dimethylaniline 86.83
    acrylonitrile 210.89
    aniline 80.04
    1,3-propanediol 118.49
    bromobenzene 71.6
    dibromomethane 135.95
    1,1,2,2-tetrachloroethane 179.57
    2-methyl-cyclohexyl acetate 99.7
    tetrabutyl urea 94.44
    diisobutyl methanol 50.47
    2-phenylethanol 101.95
    styrene 46.21
    dioctyl adipate 100.2
    dimethyl sulfate 192.31
    ethyl butyrate 104.87
    methyl lactate 122.23
    butyl lactate 78.0
    diethyl carbonate 93.01
    propanediol butyl ether 118.82
    triethyl orthoformate 80.7
    p-tert-butyltoluene 44.81
    methyl 4-tert-butylbenzoate 115.59
    morpholine 349.5
    tert-butylamine 108.03
    n-dodecanol 54.71
    dimethoxymethane 295.83
    ethylene carbonate 162.94
    cyrene 143.53
    2-ethoxyethyl acetate 133.23
    2-ethylhexyl acetate 91.02
    1,2,4-trichlorobenzene 97.46
    4-methylpyridine 147.6
    dibutyl ether 89.94
    2,6-dimethyl-4-heptanol 50.47
    DEF 164.92
    dimethyl isosorbide 252.91
    tetrachloroethylene 92.42
    eugenol 107.76
    triacetin 164.95
    span 80 127.65
    1,4-butanediol 58.58
    1,1-dichloroethane 148.6
    2-methyl-1-pentanol 60.13
    methyl formate 234.43
    2-methyl-1-butanol 78.86
    n-decane 15.83
    butyronitrile 133.64
    3,7-dimethyl-1-octanol 79.97
    1-chlorooctane 50.43
    1-chlorotetradecane 30.05
    n-nonane 14.3
    undecane 13.96
    tert-butylcyclohexane 13.72
    cyclooctane 8.2
    cyclopentanol 121.62
    tetrahydropyran 237.81
    tert-amyl methyl ether 89.9
    2,5,8-trioxanonane 262.5
    1-hexene 30.95
    2-isopropoxyethanol 99.93
    2,2,2-trifluoroethanol 68.87
    methyl butyrate 134.91

    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 (Nigeria) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.37%