2,2-Dimethyl-7-(2-methylpropyl)pyrano[4,3-b]pyran-5-one

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C14H18O3

    SMILES
    CC(C)CC1=CC2=C(C=CC(O2)(C)C)C(=O)O1

  • Odor profile

    Herbal 54.21%
    Spicy 37.4%
    Mint 35.33%
    Tobacco 33.96%
    Sweet 32.12%
    Woody 30.88%
    Celery 29.92%
    Phenolic 28.11%
    Animal 27.18%
    Lactonic 25.77%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.11 (neutral)

    Molecular weight
    234.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    396°C

    Flash point est.
    134.98 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 90.67
    methanol 88.88
    isopropanol 76.07
    water 0.38
    ethyl acetate 230.4
    n-propanol 84.21
    acetone 289.84
    n-butanol 86.8
    acetonitrile 146.49
    DMF 832.38
    toluene 147.14
    isobutanol 84.3
    1,4-dioxane 377.35
    methyl acetate 271.25
    THF 852.24
    2-butanone 223.76
    n-pentanol 66.74
    sec-butanol 75.21
    n-hexane 7.01
    ethylene glycol 39.04
    NMP 1177.97
    cyclohexane 18.96
    DMSO 453.65
    n-butyl acetate 205.63
    n-octanol 76.44
    chloroform 977.09
    n-propyl acetate 137.89
    acetic acid 272.71
    dichloromethane 830.43
    cyclohexanone 515.64
    propylene glycol 79.72
    isopropyl acetate 158.69
    DMAc 750.12
    2-ethoxyethanol 120.87
    isopentanol 97.62
    n-heptane 7.48
    ethyl formate 168.69
    1,2-dichloroethane 487.13
    n-hexanol 108.08
    2-methoxyethanol 262.92
    isobutyl acetate 117.33
    tetrachloromethane 71.21
    n-pentyl acetate 142.03
    transcutol 770.82
    n-heptanol 56.43
    ethylbenzene 62.16
    MIBK 146.77
    2-propoxyethanol 279.76
    tert-butanol 118.85
    MTBE 123.0
    2-butoxyethanol 136.3
    propionic acid 181.38
    o-xylene 96.65
    formic acid 87.97
    diethyl ether 84.0
    m-xylene 116.09
    p-xylene 93.71
    chlorobenzene 300.28
    dimethyl carbonate 225.17
    n-octane 4.49
    formamide 124.36
    cyclopentanone 768.57
    2-pentanone 190.55
    anisole 171.17
    cyclopentyl methyl ether 345.77
    gamma-butyrolactone 920.61
    1-methoxy-2-propanol 244.93
    pyridine 395.53
    3-pentanone 157.17
    furfural 654.33
    n-dodecane 6.17
    diethylene glycol 231.59
    diisopropyl ether 41.15
    tert-amyl alcohol 104.22
    acetylacetone 346.0
    n-hexadecane 7.48
    acetophenone 211.39
    methyl propionate 273.4
    isopentyl acetate 214.05
    trichloroethylene 1206.15
    n-nonanol 72.29
    cyclohexanol 147.15
    benzyl alcohol 137.18
    2-ethylhexanol 90.43
    isooctanol 53.05
    dipropyl ether 68.33
    1,2-dichlorobenzene 315.18
    ethyl lactate 107.59
    propylene carbonate 546.32
    n-methylformamide 265.36
    2-pentanol 62.08
    n-pentane 6.06
    1-propoxy-2-propanol 196.24
    1-methoxy-2-propyl acetate 284.96
    2-(2-methoxypropoxy) propanol 256.62
    mesitylene 68.81
    ε-caprolactone 509.41
    p-cymene 60.13
    epichlorohydrin 954.4
    1,1,1-trichloroethane 415.12
    2-aminoethanol 73.34
    morpholine-4-carbaldehyde 875.72
    sulfolane 1042.57
    2,2,4-trimethylpentane 10.11
    2-methyltetrahydrofuran 485.25
    n-hexyl acetate 244.41
    isooctane 7.11
    2-(2-butoxyethoxy)ethanol 294.45
    sec-butyl acetate 110.35
    tert-butyl acetate 194.72
    decalin 17.26
    glycerin 123.88
    diglyme 425.49
    acrylic acid 205.35
    isopropyl myristate 100.75
    n-butyric acid 229.0
    acetyl acetate 210.35
    di(2-ethylhexyl) phthalate 140.62
    ethyl propionate 139.82
    nitromethane 505.71
    1,2-diethoxyethane 172.65
    benzonitrile 220.05
    trioctyl phosphate 87.32
    1-bromopropane 159.8
    gamma-valerolactone 939.35
    n-decanol 59.32
    triethyl phosphate 99.84
    4-methyl-2-pentanol 55.2
    propionitrile 118.55
    vinylene carbonate 489.82
    1,1,2-trichlorotrifluoroethane 533.33
    DMS 318.57
    cumene 50.66
    2-octanol 45.66
    2-hexanone 128.84
    octyl acetate 140.49
    limonene 90.41
    1,2-dimethoxyethane 231.73
    ethyl orthosilicate 90.41
    tributyl phosphate 117.03
    diacetone alcohol 251.65
    N,N-dimethylaniline 132.57
    acrylonitrile 196.33
    aniline 188.51
    1,3-propanediol 115.43
    bromobenzene 324.52
    dibromomethane 426.84
    1,1,2,2-tetrachloroethane 901.18
    2-methyl-cyclohexyl acetate 172.41
    tetrabutyl urea 149.31
    diisobutyl methanol 54.18
    2-phenylethanol 182.34
    styrene 76.74
    dioctyl adipate 178.88
    dimethyl sulfate 382.14
    ethyl butyrate 137.38
    methyl lactate 192.3
    butyl lactate 146.52
    diethyl carbonate 119.16
    propanediol butyl ether 194.53
    triethyl orthoformate 115.1
    p-tert-butyltoluene 61.27
    methyl 4-tert-butylbenzoate 220.48
    morpholine 475.67
    tert-butylamine 65.11
    n-dodecanol 48.48
    dimethoxymethane 391.58
    ethylene carbonate 373.94
    cyrene 283.14
    2-ethoxyethyl acetate 247.51
    2-ethylhexyl acetate 172.66
    1,2,4-trichlorobenzene 391.08
    4-methylpyridine 441.65
    dibutyl ether 84.69
    2,6-dimethyl-4-heptanol 54.18
    DEF 319.39
    dimethyl isosorbide 515.49
    tetrachloroethylene 441.42
    eugenol 197.74
    triacetin 306.61
    span 80 236.17
    1,4-butanediol 48.77
    1,1-dichloroethane 401.61
    2-methyl-1-pentanol 80.66
    methyl formate 267.89
    2-methyl-1-butanol 91.27
    n-decane 8.87
    butyronitrile 120.76
    3,7-dimethyl-1-octanol 96.6
    1-chlorooctane 56.91
    1-chlorotetradecane 28.47
    n-nonane 7.65
    undecane 7.34
    tert-butylcyclohexane 15.53
    cyclooctane 7.5
    cyclopentanol 221.82
    tetrahydropyran 298.2
    tert-amyl methyl ether 107.59
    2,5,8-trioxanonane 357.56
    1-hexene 29.72
    2-isopropoxyethanol 104.36
    2,2,2-trifluoroethanol 130.64
    methyl butyrate 183.11

    Scent© AI

1 3

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
St. John's wort (India) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 0.3%