beta-Pyronene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    514-96-5

    Molecular formula
    C10H16

    SMILES
    CC1=C(C(CC=C1)(C)C)C

  • Odor profile

    Woody 75.05%
    Herbal 61.31%
    Spicy 59.76%
    Sweet 54.31%
    Citrus 51.69%
    Terpenic 50.67%
    Camphoreous 41.97%
    Fresh 39.04%
    Lemon 38.07%
    Pine 37.17%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    10.67 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    157°C

    Flash point est.
    46.51 ˚C

  • Synonyms

    • .beta.-Pyronene
    • beta-Pyronene
    • 514-96-5
    • beta-Pironene
    • 87JOK1542I
    • .BETA.-PIRONENE
    • UNII-87JOK1542I
    • 1,3-Cyclohexadiene,1,2,6,6-tetramethyl-
    • 1,3-Cyclohexadiene, 1,2,6,6-tetramethyl-
    • DTXSID20281293
    • 1,2,6,6-tetramethylcyclohexa-1,3-diene
    • DTXCID20232447
    • AKOS006275462
    • 1,2,6,6-Tetramethyl-1,3-cyclohexadiene
    • 1,2,6,6-Tetramethyl-1,3-cyclohexadiene #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 197.46
    methanol 157.48
    isopropanol 149.35
    water 0.29
    ethyl acetate 358.36
    n-propanol 185.96
    acetone 180.04
    n-butanol 227.72
    acetonitrile 178.09
    DMF 172.68
    toluene 379.76
    isobutanol 140.68
    1,4-dioxane 572.85
    methyl acetate 236.65
    THF 846.19
    2-butanone 264.19
    n-pentanol 156.55
    sec-butanol 180.54
    n-hexane 282.73
    ethylene glycol 15.64
    NMP 251.72
    cyclohexane 279.74
    DMSO 105.18
    n-butyl acetate 479.74
    n-octanol 170.45
    chloroform 617.31
    n-propyl acetate 191.74
    acetic acid 87.05
    dichloromethane 495.46
    cyclohexanone 364.75
    propylene glycol 27.74
    isopropyl acetate 254.24
    DMAc 216.96
    2-ethoxyethanol 140.47
    isopentanol 200.01
    n-heptane 276.02
    ethyl formate 127.64
    1,2-dichloroethane 326.55
    n-hexanol 439.73
    2-methoxyethanol 201.15
    isobutyl acetate 150.73
    tetrachloromethane 197.97
    n-pentyl acetate 239.63
    transcutol 656.91
    n-heptanol 199.39
    ethylbenzene 200.64
    MIBK 215.16
    2-propoxyethanol 396.98
    tert-butanol 217.9
    MTBE 424.37
    2-butoxyethanol 216.28
    propionic acid 91.43
    o-xylene 226.94
    formic acid 24.32
    diethyl ether 569.7
    m-xylene 261.7
    p-xylene 233.6
    chlorobenzene 280.57
    dimethyl carbonate 86.42
    n-octane 92.13
    formamide 39.36
    cyclopentanone 358.58
    2-pentanone 281.16
    anisole 287.77
    cyclopentyl methyl ether 500.92
    gamma-butyrolactone 308.17
    1-methoxy-2-propanol 187.55
    pyridine 357.22
    3-pentanone 271.19
    furfural 234.15
    n-dodecane 50.95
    diethylene glycol 129.94
    diisopropyl ether 270.99
    tert-amyl alcohol 231.15
    acetylacetone 224.6
    n-hexadecane 58.18
    acetophenone 194.83
    methyl propionate 229.17
    isopentyl acetate 389.85
    trichloroethylene 459.16
    n-nonanol 176.52
    cyclohexanol 219.08
    benzyl alcohol 126.61
    2-ethylhexanol 338.14
    isooctanol 171.74
    dipropyl ether 584.51
    1,2-dichlorobenzene 269.61
    ethyl lactate 67.16
    propylene carbonate 196.24
    n-methylformamide 83.03
    2-pentanol 194.29
    n-pentane 216.93
    1-propoxy-2-propanol 337.13
    1-methoxy-2-propyl acetate 340.67
    2-(2-methoxypropoxy) propanol 230.76
    mesitylene 187.46
    ε-caprolactone 330.6
    p-cymene 203.38
    epichlorohydrin 386.93
    1,1,1-trichloroethane 396.79
    2-aminoethanol 49.39
    morpholine-4-carbaldehyde 290.18
    sulfolane 246.73
    2,2,4-trimethylpentane 99.86
    2-methyltetrahydrofuran 643.1
    n-hexyl acetate 318.21
    isooctane 91.03
    2-(2-butoxyethoxy)ethanol 285.1
    sec-butyl acetate 178.94
    tert-butyl acetate 301.22
    decalin 139.74
    glycerin 34.81
    diglyme 449.45
    acrylic acid 61.04
    isopropyl myristate 167.09
    n-butyric acid 193.92
    acetyl acetate 194.93
    di(2-ethylhexyl) phthalate 115.03
    ethyl propionate 209.7
    nitromethane 131.63
    1,2-diethoxyethane 503.29
    benzonitrile 172.24
    trioctyl phosphate 86.24
    1-bromopropane 401.45
    gamma-valerolactone 364.76
    n-decanol 135.95
    triethyl phosphate 150.69
    4-methyl-2-pentanol 141.36
    propionitrile 222.81
    vinylene carbonate 173.31
    1,1,2-trichlorotrifluoroethane 149.59
    DMS 185.0
    cumene 154.35
    2-octanol 132.08
    2-hexanone 223.39
    octyl acetate 187.93
    limonene 311.88
    1,2-dimethoxyethane 327.06
    ethyl orthosilicate 171.03
    tributyl phosphate 109.8
    diacetone alcohol 193.17
    N,N-dimethylaniline 218.44
    acrylonitrile 162.14
    aniline 215.45
    1,3-propanediol 88.86
    bromobenzene 343.14
    dibromomethane 408.5
    1,1,2,2-tetrachloroethane 377.45
    2-methyl-cyclohexyl acetate 278.06
    tetrabutyl urea 133.56
    diisobutyl methanol 194.31
    2-phenylethanol 246.24
    styrene 212.63
    dioctyl adipate 171.18
    dimethyl sulfate 92.74
    ethyl butyrate 339.4
    methyl lactate 66.28
    butyl lactate 116.25
    diethyl carbonate 202.68
    propanediol butyl ether 112.69
    triethyl orthoformate 270.37
    p-tert-butyltoluene 217.77
    methyl 4-tert-butylbenzoate 231.89
    morpholine 540.24
    tert-butylamine 218.66
    n-dodecanol 107.67
    dimethoxymethane 266.31
    ethylene carbonate 159.53
    cyrene 139.17
    2-ethoxyethyl acetate 276.07
    2-ethylhexyl acetate 391.76
    1,2,4-trichlorobenzene 268.32
    4-methylpyridine 367.33
    dibutyl ether 339.37
    2,6-dimethyl-4-heptanol 194.31
    DEF 287.75
    dimethyl isosorbide 396.1
    tetrachloroethylene 275.76
    eugenol 175.19
    triacetin 202.25
    span 80 196.88
    1,4-butanediol 31.7
    1,1-dichloroethane 348.45
    2-methyl-1-pentanol 169.75
    methyl formate 57.97
    2-methyl-1-butanol 200.99
    n-decane 90.78
    butyronitrile 266.98
    3,7-dimethyl-1-octanol 205.55
    1-chlorooctane 203.69
    1-chlorotetradecane 94.96
    n-nonane 94.42
    undecane 65.4
    tert-butylcyclohexane 141.65
    cyclooctane 153.77
    cyclopentanol 168.05
    tetrahydropyran 690.13
    tert-amyl methyl ether 373.21
    2,5,8-trioxanonane 344.97
    1-hexene 392.49
    2-isopropoxyethanol 130.67
    2,2,2-trifluoroethanol 30.75
    methyl butyrate 211.43

    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
Rabbit Brush (Utah, USA) Chysothamnus viscidiflorus 0.42%