Perilla ketone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    553-84-4

    Molecular formula
    C10H14O2

    SMILES
    CC(C)CCC(=O)C1=COC=C1

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1248.0

  • Odor profile

    Fruity 56.59%
    Herbal 39.9%
    Caramellic 35.38%
    Mint 32.22%
    Woody 28.15%
    Sweet 27.93%
    Dry 21.86%
    Berry 21.82%
    Animal 21.79%
    Balsamic 21.34%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    6.94 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 223.00 to 225.00 °C. @ 760.00 mm Hg

    Flash point est.
    82.1 ˚C

  • Synonyms

    • Perilla ketone
    • 553-84-4
    • 1-(furan-3-yl)-4-methylpentan-1-one
    • perillaketone
    • beta-Furyl isoamyl ketone
    • 1-Pentanone, 1-(3-furanyl)-4-methyl-
    • 1-(3-Furyl)-4-methyl-1-pentanone
    • 1-(3-Furanyl)-4-methyl-1-pentanone
    • NSC 348407
    • BRN 0114624
    • CV69S6Y94V
    • 1-Pentanone, 1-(3-furyl)-4-methyl-
    • NSC348407
    • Purple Mint Plant Isolate
    • NSC-348407
    • PERILLA KETONE [MI]
    • CHEMBL469753
    • DTXSID10203828
    • .BETA.-FURYL ISOAMYL KETONE
    • 5-17-09-00480 (Beilstein Handbook Reference)
    • 1-furan-3-yl-4-methylpentan-1-one
    • UNII-CV69S6Y94V
    • 1-(3-Furanyl)-4-methyl-1-pentanone; 1-(3-Furyl)-4-methyl-1-pentanone; 3-(4-Methylpentanoyl)furan; NSC 348407;
    • SCHEMBL4627614
    • WLN: T5OJ CV2Y1&1
    • DTXCID40126319
    • CHEBI:195771
    • HY-N9508
    • BDBM50276352
    • 1-(3-furyl)-4-methyl-pentan-1-one
    • AKOS012403470
    • 1-(uran-3-yl)-4-methylpentan-1-one
    • MS-22906
    • NCI60_003097
    • 1ST180092
    • DB-328913
    • CS-0182031
    • EN300-175722
    • G13090
    • Q7168519
    • Z1179940260
    • 107-772-9

  • Applications

    Perilla ketone (CAS 553-84-4) is a natural monoterpenoid from Perilla frutescens best known as a pneumotoxic agent causing pulmonary edema in livestock, which severely limits direct practical uses; instead, it is employed mainly in research—as a tool compound to induce acute lung injury in animal models, as a reactive Michael acceptor to probe oxidative-stress signaling and the KEAP1–NRF2 pathway, as an analytical reference/marker for quantifying and controlling the quality of perilla essential oil or monitoring contamination in feed materials, and occasionally as an intermediate in organic synthesis; although exploratory studies report anti-inflammatory and anti-angiogenic activities, its respiratory toxicity requires strict handling, exclusion from flavor/food applications, and full compliance with chemical safety regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1058.41
    methanol 1227.21
    isopropanol 753.66
    water 0.7
    ethyl acetate 687.96
    n-propanol 777.22
    acetone 1028.72
    n-butanol 789.34
    acetonitrile 736.16
    DMF 1712.19
    toluene 418.73
    isobutanol 616.34
    1,4-dioxane 978.73
    methyl acetate 717.85
    THF 1188.97
    2-butanone 879.49
    n-pentanol 433.39
    sec-butanol 629.18
    n-hexane 35.88
    ethylene glycol 255.4
    NMP 840.7
    cyclohexane 67.97
    DMSO 1129.34
    n-butyl acetate 449.71
    n-octanol 164.12
    chloroform 1667.66
    n-propyl acetate 334.29
    acetic acid 662.06
    dichloromethane 1283.6
    cyclohexanone 861.5
    propylene glycol 495.34
    isopropyl acetate 372.34
    DMAc 1119.55
    2-ethoxyethanol 526.41
    isopentanol 668.1
    n-heptane 17.29
    ethyl formate 414.36
    1,2-dichloroethane 931.03
    n-hexanol 477.46
    2-methoxyethanol 1113.51
    isobutyl acetate 223.61
    tetrachloromethane 182.33
    n-pentyl acetate 185.88
    transcutol 1800.41
    n-heptanol 160.08
    ethylbenzene 191.4
    MIBK 363.7
    2-propoxyethanol 687.13
    tert-butanol 854.41
    MTBE 635.96
    2-butoxyethanol 313.19
    propionic acid 559.88
    o-xylene 227.71
    formic acid 248.21
    diethyl ether 509.15
    m-xylene 257.59
    p-xylene 238.83
    chlorobenzene 491.32
    dimethyl carbonate 224.82
    n-octane 7.44
    formamide 392.19
    cyclopentanone 893.85
    2-pentanone 630.95
    anisole 419.97
    cyclopentyl methyl ether 511.67
    gamma-butyrolactone 827.89
    1-methoxy-2-propanol 856.61
    pyridine 990.52
    3-pentanone 415.0
    furfural 850.01
    n-dodecane 8.13
    diethylene glycol 582.96
    diisopropyl ether 124.51
    tert-amyl alcohol 676.34
    acetylacetone 578.13
    n-hexadecane 9.73
    acetophenone 358.68
    methyl propionate 530.9
    isopentyl acetate 399.74
    trichloroethylene 1894.94
    n-nonanol 136.43
    cyclohexanol 563.44
    benzyl alcohol 402.95
    2-ethylhexanol 225.17
    isooctanol 132.59
    dipropyl ether 187.99
    1,2-dichlorobenzene 397.04
    ethyl lactate 193.09
    propylene carbonate 492.07
    n-methylformamide 662.88
    2-pentanol 467.09
    n-pentane 34.3
    1-propoxy-2-propanol 489.9
    1-methoxy-2-propyl acetate 442.56
    2-(2-methoxypropoxy) propanol 373.46
    mesitylene 141.52
    ε-caprolactone 626.95
    p-cymene 101.47
    epichlorohydrin 1107.67
    1,1,1-trichloroethane 812.29
    2-aminoethanol 508.52
    morpholine-4-carbaldehyde 855.36
    sulfolane 855.75
    2,2,4-trimethylpentane 29.47
    2-methyltetrahydrofuran 845.72
    n-hexyl acetate 311.81
    isooctane 23.51
    2-(2-butoxyethoxy)ethanol 542.31
    sec-butyl acetate 243.06
    tert-butyl acetate 387.27
    decalin 38.94
    glycerin 492.47
    diglyme 869.42
    acrylic acid 474.3
    isopropyl myristate 110.9
    n-butyric acid 733.9
    acetyl acetate 337.74
    di(2-ethylhexyl) phthalate 135.98
    ethyl propionate 297.05
    nitromethane 941.22
    1,2-diethoxyethane 423.91
    benzonitrile 483.21
    trioctyl phosphate 87.27
    1-bromopropane 469.89
    gamma-valerolactone 1017.7
    n-decanol 99.46
    triethyl phosphate 110.93
    4-methyl-2-pentanol 249.07
    propionitrile 580.88
    vinylene carbonate 482.87
    1,1,2-trichlorotrifluoroethane 829.47
    DMS 284.36
    cumene 124.5
    2-octanol 104.32
    2-hexanone 396.41
    octyl acetate 144.61
    limonene 148.71
    1,2-dimethoxyethane 777.69
    ethyl orthosilicate 112.14
    tributyl phosphate 113.58
    diacetone alcohol 532.21
    N,N-dimethylaniline 260.79
    acrylonitrile 734.29
    aniline 567.79
    1,3-propanediol 630.05
    bromobenzene 505.92
    dibromomethane 836.02
    1,1,2,2-tetrachloroethane 1457.11
    2-methyl-cyclohexyl acetate 204.39
    tetrabutyl urea 143.06
    diisobutyl methanol 126.62
    2-phenylethanol 367.6
    styrene 266.73
    dioctyl adipate 178.29
    dimethyl sulfate 295.78
    ethyl butyrate 244.5
    methyl lactate 336.86
    butyl lactate 207.16
    diethyl carbonate 175.45
    propanediol butyl ether 410.02
    triethyl orthoformate 163.0
    p-tert-butyltoluene 99.38
    methyl 4-tert-butylbenzoate 252.79
    morpholine 1333.6
    tert-butylamine 501.51
    n-dodecanol 73.72
    dimethoxymethane 637.87
    ethylene carbonate 385.16
    cyrene 292.65
    2-ethoxyethyl acetate 322.86
    2-ethylhexyl acetate 293.71
    1,2,4-trichlorobenzene 497.82
    4-methylpyridine 976.58
    dibutyl ether 169.13
    2,6-dimethyl-4-heptanol 126.62
    DEF 658.69
    dimethyl isosorbide 429.24
    tetrachloroethylene 777.46
    eugenol 287.73
    triacetin 295.29
    span 80 295.17
    1,4-butanediol 248.3
    1,1-dichloroethane 1020.12
    2-methyl-1-pentanol 424.92
    methyl formate 454.9
    2-methyl-1-butanol 602.43
    n-decane 13.08
    butyronitrile 646.95
    3,7-dimethyl-1-octanol 200.91
    1-chlorooctane 96.97
    1-chlorotetradecane 35.59
    n-nonane 11.58
    undecane 9.9
    tert-butylcyclohexane 38.27
    cyclooctane 19.97
    cyclopentanol 504.24
    tetrahydropyran 917.79
    tert-amyl methyl ether 368.39
    2,5,8-trioxanonane 573.43
    1-hexene 203.26
    2-isopropoxyethanol 374.3
    2,2,2-trifluoroethanol 197.8
    methyl butyrate 403.2

    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
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Patchouli (China) 1 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.02%
Curcuma aromatica (India) 1 petiole Curcuma aromatica Salisb., fam. Zingiberaceae 3.5%
Perilla frutescens (China) 2a herb 90082-61-4 Perilla frutescens (L.) Brit., fam. Lamiaceae (Labiatae) 29.86%
Turmeric (India) 5a rhizome 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.05%
Turmeric (India) 5b leaf 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 2.1%