Perillene

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  • Identifiers

    CAS number
    539-52-6

    Molecular formula
    C10H14O

    SMILES
    CC(=CCCC1=COC=C1)C

    Retention indicies (RI)

    • DB5: 1099.0
    • Carbowax: 1305.67

  • Odor profile

    Fragrance
    Woody 44.27%
    Citrus 41.75%
    Herbal 39.14%
    Spicy 38.49%
    Green 37.88%
    Lemon 35.29%
    Fresh 30.64%
    Earthy 27.91%
    Floral 27.72%
    Roasted 25.72%

     

    Flavor
    Woody 49.21%
    Wood 37.71%
    Spicy 37.38%
    Green 33.24%
    Spice 30.7%
    Citrus 27.72%
    Herbal 26.15%
    Floral 25.37%
    Fresh 23.59%
    Earthy 22.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.76 (neutral)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    193°C

    Flash point

    • 61.54 ˚C est.

  • Synonyms

    • Perillene
    • Perillen
    • 539-52-6
    • 3-(4-methylpent-3-en-1-yl)furan
    • 3-(4-Methyl-3-pentenyl)furan
    • 3-(4-methylpent-3-enyl)furan
    • Furan, 3-(4-methyl-3-pentenyl)-
    • AM4D4646ZW
    • Perillen, >90%
    • CHEBI:74039
    • 3-(4-methyl-3-pentenyl)-furan
    • DTXSID40202167
    • 3-(4-METHYL-3-PENTEN-1-YL)FURAN
    • FURAN, 3-(4-METHYL-3-PENTEN-1-YL)-
    • Perillene?
    • 3-(4-Methyl-3-penten-1-yl)furan; 3-(4-Methyl-3-pentenyl)furan; Perillene
    • MFCD28387433
    • UNII-AM4D4646ZW
    • SCHEMBL310752
    • DTXCID40124658
    • 3-(4-Methyl-3-pentenyl)furan #
    • 3-(4-Methyl-pent-3-enyl)-furan
    • HY-N0827
    • AKOS028108563
    • AS-82915
    • DA-56697
    • CS-0009859
    • NS00126669
    • Q15634089

  • Applications

    Perillene (CAS 539-52-6) is a terpenoid with a characteristic aroma and is considered an odorant/fragrance ingredient for perfumery and personal care products; it may be used as a flavor component in flavor development for foods and beverages; it is also evaluated for use in household cleaning products to impart fragrance; in the coatings and inks sector, perillene is used as an aroma additive for paints and printed materials; additionally, it is commonly evaluated as an intermediate or building block for the synthesis of other terpenoid chemicals in industrial manufacturing, subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2005.48
    methanol 2033.94
    isopropanol 1208.75
    water 1.57
    ethyl acetate 1662.71
    n-propanol 1501.75
    acetone 1263.0
    n-butanol 1549.08
    acetonitrile 1319.72
    DMF 1081.12
    toluene 1070.59
    isobutanol 1020.52
    1,4-dioxane 2362.69
    methyl acetate 1272.95
    THF 1875.98
    2-butanone 1431.63
    n-pentanol 974.83
    sec-butanol 1300.69
    n-hexane 376.22
    ethylene glycol 329.85
    NMP 822.49
    cyclohexane 441.32
    DMSO 1091.38
    n-butyl acetate 1011.67
    n-octanol 364.23
    chloroform 3242.54
    n-propyl acetate 752.6
    acetic acid 1185.72
    dichloromethane 2504.67
    cyclohexanone 1117.5
    propylene glycol 603.45
    isopropyl acetate 840.86
    DMAc 1150.0
    2-ethoxyethanol 1260.31
    isopentanol 1210.76
    n-heptane 180.61
    ethyl formate 645.6
    1,2-dichloroethane 1560.88
    n-hexanol 1033.33
    2-methoxyethanol 1901.62
    isobutyl acetate 438.23
    tetrachloromethane 594.57
    n-pentyl acetate 437.88
    transcutol 4911.43
    n-heptanol 368.55
    ethylbenzene 468.13
    MIBK 634.99
    2-propoxyethanol 1430.83
    tert-butanol 1362.83
    MTBE 1674.05
    2-butoxyethanol 660.41
    propionic acid 885.18
    o-xylene 514.44
    formic acid 436.83
    diethyl ether 2262.26
    m-xylene 577.43
    p-xylene 465.46
    chlorobenzene 853.82
    dimethyl carbonate 343.86
    n-octane 48.09
    formamide 615.45
    cyclopentanone 916.23
    2-pentanone 1126.18
    anisole 916.04
    cyclopentyl methyl ether 1149.85
    gamma-butyrolactone 926.04
    1-methoxy-2-propanol 1229.28
    pyridine 1903.63
    3-pentanone 968.69
    furfural 1103.46
    n-dodecane 30.23
    diethylene glycol 890.84
    diisopropyl ether 551.37
    tert-amyl alcohol 1365.51
    acetylacetone 886.68
    n-hexadecane 35.64
    acetophenone 608.9
    methyl propionate 1005.29
    isopentyl acetate 852.51
    trichloroethylene 2837.63
    n-nonanol 322.68
    cyclohexanol 1028.01
    benzyl alcohol 656.38
    2-ethylhexanol 620.69
    isooctanol 301.75
    dipropyl ether 912.29
    1,2-dichlorobenzene 699.46
    ethyl lactate 312.79
    propylene carbonate 618.62
    n-methylformamide 693.99
    2-pentanol 1062.3
    n-pentane 354.17
    1-propoxy-2-propanol 1026.39
    1-methoxy-2-propyl acetate 959.25
    2-(2-methoxypropoxy) propanol 741.07
    mesitylene 328.3
    ε-caprolactone 978.17
    p-cymene 264.9
    epichlorohydrin 1580.95
    1,1,1-trichloroethane 1543.28
    2-aminoethanol 847.4
    morpholine-4-carbaldehyde 1196.64
    sulfolane 871.85
    2,2,4-trimethylpentane 176.05
    2-methyltetrahydrofuran 1749.71
    n-hexyl acetate 659.76
    isooctane 124.72
    2-(2-butoxyethoxy)ethanol 1067.96
    sec-butyl acetate 561.02
    tert-butyl acetate 877.34
    decalin 176.18
    glycerin 596.68
    diglyme 1820.23
    acrylic acid 718.91
    isopropyl myristate 235.46
    n-butyric acid 1242.77
    acetyl acetate 717.6
    di(2-ethylhexyl) phthalate 249.84
    ethyl propionate 679.53
    nitromethane 1324.22
    1,2-diethoxyethane 1634.41
    benzonitrile 704.33
    trioctyl phosphate 145.51
    1-bromopropane 1307.15
    gamma-valerolactone 1315.78
    n-decanol 226.74
    triethyl phosphate 268.15
    4-methyl-2-pentanol 510.03
    propionitrile 1074.17
    vinylene carbonate 618.13
    1,1,2-trichlorotrifluoroethane 1350.21
    DMS 552.25
    cumene 281.2
    2-octanol 236.63
    2-hexanone 798.21
    octyl acetate 293.62
    limonene 413.92
    1,2-dimethoxyethane 1526.31
    ethyl orthosilicate 309.65
    tributyl phosphate 211.66
    diacetone alcohol 802.62
    N,N-dimethylaniline 544.45
    acrylonitrile 1001.38
    aniline 1186.22
    1,3-propanediol 1043.81
    bromobenzene 920.24
    dibromomethane 1835.05
    1,1,2,2-tetrachloroethane 2190.34
    2-methyl-cyclohexyl acetate 467.88
    tetrabutyl urea 246.74
    diisobutyl methanol 340.71
    2-phenylethanol 677.62
    styrene 640.12
    dioctyl adipate 349.9
    dimethyl sulfate 371.75
    ethyl butyrate 666.23
    methyl lactate 399.32
    butyl lactate 328.62
    diethyl carbonate 423.59
    propanediol butyl ether 623.68
    triethyl orthoformate 486.34
    p-tert-butyltoluene 258.94
    methyl 4-tert-butylbenzoate 445.75
    morpholine 2859.48
    tert-butylamine 1107.83
    n-dodecanol 169.46
    dimethoxymethane 969.04
    ethylene carbonate 542.8
    cyrene 462.03
    2-ethoxyethyl acetate 751.37
    2-ethylhexyl acetate 696.87
    1,2,4-trichlorobenzene 877.14
    4-methylpyridine 1558.83
    dibutyl ether 659.81
    2,6-dimethyl-4-heptanol 340.71
    DEF 1128.56
    dimethyl isosorbide 851.64
    tetrachloroethylene 1511.13
    eugenol 449.86
    triacetin 610.0
    span 80 579.33
    1,4-butanediol 414.17
    1,1-dichloroethane 1634.19
    2-methyl-1-pentanol 846.01
    methyl formate 420.16
    2-methyl-1-butanol 1214.9
    n-decane 61.31
    butyronitrile 1139.27
    3,7-dimethyl-1-octanol 454.67
    1-chlorooctane 265.84
    1-chlorotetradecane 95.21
    n-nonane 63.94
    undecane 40.35
    tert-butylcyclohexane 183.11
    cyclooctane 158.35
    cyclopentanol 679.97
    tetrahydropyran 2367.54
    tert-amyl methyl ether 1228.67
    2,5,8-trioxanonane 1163.95
    1-hexene 1002.68
    2-isopropoxyethanol 827.94
    2,2,2-trifluoroethanol 285.1
    methyl butyrate 778.16

    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
Amomum villosum (China) 1a Amomum villosum Lour. var. xanthioides, fam. Zingiberaceae 0.3%
Armoise flower 8008-93-3 Artemisia vulgaris L., fam. Asteraceae (Compositae) 0.06%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.09%
Grapefruit (Israel) 2 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Ginger (India) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%
Ginger (Vietnam) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.18%
Grapefruit (Israel) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Hyssop (Himalaya) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Mastic gum (Greece) 1 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.34%
Myrtle leaf, cultivated (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.04%
Myrtle leaf, wildgrowing (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.02%
Orange leaf, sweet (North Africa) 1 Citrus sinensis (L.) Osbeck, cultivar Portuguese, fam. Rutaceae 0.14%
Orange leaf, sweet (North Africa) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.16%
Bitter orange leaf (Petitgrain) (Spain) 1 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.01%
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.25%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.1%
Ginger (Japan) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.18%
Pistacia lentiscus (Spain) 1b unripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.04%
Pistacia lentiscus (Spain) 1c ripe fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.02%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.06%
Olibanum, Frankincense (Egypt) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 0.39%
Mastic gum (Greece) 2 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.34%
Pistacia lentiscus fruit 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.01%
Myrtle flower (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.15%
Myrtle unripe fruits (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.03%
Erigeron canadensis Erigeron canadensis L. (Conyza canadensis (L.) Cronquist), fam. Asteraceae 2.7%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.72%
Origanum solymicum (Turkey) Origanum solymicum P.H. Davis, fam. Lamiaceae (Labiatae) 0.03%
Cypress (Algeria) 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.01%
Bitter orange leaf (Petitgrain) (Spain) 2 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.01%
Abies holophylla (China) 2 Abies holophylla Maxim., fam. Pinaceae 0.4%
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Myrtle leaf (Albania) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.01%
Myrtle leaf (Tunisia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.02%
Pistacia vera fruit hull (Turkey) Pistacia vera L., fam. Anacardiaceae 0.01%
Lemon verbena (Turkey) Aloysia triphylla (L'Herit.) Britton, fam. Verbenaceae 0.08%
Olibanum, Frankincense (Turkey) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 0.5%
Myrtle leaf (Albania) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.04%
Myrtle flower (Albania) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.03%
Myrtle berry (Albania) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.07%
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.1%
Carrot umbel (Poland) 8015-88-1 Daucus carota L. ssp. carota, fam. Apiaceae (Umbelliferae) 0.01%
Eucalyptus tereticornis (Cuba) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.01%
Thymus fedtschenkoi var. handelii (Turkey) Thymus fedtschenkoi var. handelii, fam. Lamiaceae (Labiatae) 0.01%
Pichana (Broom) (Argentina) Baccharis spartioides (Hook. et Arn.) Remy, fam. Asteraceae (Compositae) 0.05%