1-Phenylpentan-3-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    20795-51-1

    Molecular formula
    C11H14O

    SMILES
    CCC(=O)CCC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 75.45%
    Fruity 73.71%
    Sweet 51.18%
    Green 44.35%
    Balsamic 39.15%
    Jasmin 36.46%
    Honey 34.57%
    Rose 34.35%
    Fresh 32.99%
    Woody 32.62%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point est.
    102.16 ˚C

  • Synonyms

    • 1-Phenylpentan-3-one
    • 20795-51-1
    • 1-Phenyl-3-pentanone
    • 3-Pentanone, 1-phenyl-
    • 1-Phenyl-pentan-3-one
    • VEP8CR4F7Z
    • AI3-21915
    • DTXSID10174882
    • EINECS 244-045-6
    • MFCD00027025
    • 5phenylpentan-3-one
    • UNII-VEP8CR4F7Z
    • SCHEMBL1874
    • DTXCID5097373
    • AKOS009389875
    • DB-045375
    • CS-0245904
    • NS00026738
    • EN300-313191
    • F87226

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 793.15
    methanol 1039.86
    isopropanol 425.7
    water 0.8
    ethyl acetate 1581.57
    n-propanol 514.48
    acetone 813.05
    n-butanol 461.01
    acetonitrile 1424.1
    DMF 801.09
    toluene 457.08
    isobutanol 299.32
    1,4-dioxane 1947.94
    methyl acetate 1095.85
    THF 812.88
    2-butanone 871.92
    n-pentanol 384.88
    sec-butanol 342.6
    n-hexane 73.7
    ethylene glycol 125.1
    NMP 433.56
    cyclohexane 74.88
    DMSO 895.27
    n-butyl acetate 905.42
    n-octanol 135.31
    chloroform 3318.25
    n-propyl acetate 742.77
    acetic acid 699.57
    dichloromethane 2992.77
    cyclohexanone 915.35
    propylene glycol 160.0
    isopropyl acetate 650.58
    DMAc 913.78
    2-ethoxyethanol 643.3
    isopentanol 396.34
    n-heptane 37.28
    ethyl formate 569.14
    1,2-dichloroethane 1710.03
    n-hexanol 371.69
    2-methoxyethanol 806.03
    isobutyl acetate 430.26
    tetrachloromethane 272.74
    n-pentyl acetate 318.16
    transcutol 3381.84
    n-heptanol 134.69
    ethylbenzene 288.17
    MIBK 369.38
    2-propoxyethanol 630.95
    tert-butanol 510.84
    MTBE 637.77
    2-butoxyethanol 328.06
    propionic acid 550.96
    o-xylene 233.61
    formic acid 206.84
    diethyl ether 1029.71
    m-xylene 232.04
    p-xylene 319.6
    chlorobenzene 719.59
    dimethyl carbonate 277.09
    n-octane 14.17
    formamide 395.61
    cyclopentanone 669.55
    2-pentanone 621.43
    anisole 707.61
    cyclopentyl methyl ether 403.7
    gamma-butyrolactone 878.71
    1-methoxy-2-propanol 493.65
    pyridine 1657.88
    3-pentanone 545.4
    furfural 965.94
    n-dodecane 11.92
    diethylene glycol 411.29
    diisopropyl ether 185.3
    tert-amyl alcohol 395.87
    acetylacetone 799.45
    n-hexadecane 13.93
    acetophenone 542.79
    methyl propionate 730.28
    isopentyl acetate 695.78
    trichloroethylene 3136.7
    n-nonanol 127.57
    cyclohexanol 301.4
    benzyl alcohol 426.77
    2-ethylhexanol 261.95
    isooctanol 118.81
    dipropyl ether 427.6
    1,2-dichlorobenzene 610.22
    ethyl lactate 214.44
    propylene carbonate 620.36
    n-methylformamide 496.99
    2-pentanol 278.93
    n-pentane 35.57
    1-propoxy-2-propanol 452.8
    1-methoxy-2-propyl acetate 664.89
    2-(2-methoxypropoxy) propanol 423.93
    mesitylene 134.52
    ε-caprolactone 827.52
    p-cymene 126.14
    epichlorohydrin 1406.11
    1,1,1-trichloroethane 1241.72
    2-aminoethanol 274.35
    morpholine-4-carbaldehyde 975.31
    sulfolane 690.77
    2,2,4-trimethylpentane 26.19
    2-methyltetrahydrofuran 654.51
    n-hexyl acetate 429.99
    isooctane 20.66
    2-(2-butoxyethoxy)ethanol 586.37
    sec-butyl acetate 466.18
    tert-butyl acetate 554.73
    decalin 60.29
    glycerin 214.4
    diglyme 1232.38
    acrylic acid 428.23
    isopropyl myristate 162.72
    n-butyric acid 789.29
    acetyl acetate 786.91
    di(2-ethylhexyl) phthalate 150.68
    ethyl propionate 613.63
    nitromethane 1349.16
    1,2-diethoxyethane 1191.85
    benzonitrile 677.49
    trioctyl phosphate 89.89
    1-bromopropane 816.7
    gamma-valerolactone 1122.82
    n-decanol 92.89
    triethyl phosphate 215.53
    4-methyl-2-pentanol 165.43
    propionitrile 873.39
    vinylene carbonate 675.69
    1,1,2-trichlorotrifluoroethane 774.41
    DMS 510.92
    cumene 167.62
    2-octanol 85.29
    2-hexanone 581.96
    octyl acetate 185.1
    limonene 171.78
    1,2-dimethoxyethane 1252.85
    ethyl orthosilicate 219.86
    tributyl phosphate 155.13
    diacetone alcohol 430.53
    N,N-dimethylaniline 359.66
    acrylonitrile 1114.13
    aniline 491.43
    1,3-propanediol 391.03
    bromobenzene 784.53
    dibromomethane 1797.94
    1,1,2,2-tetrachloroethane 2239.41
    2-methyl-cyclohexyl acetate 326.89
    tetrabutyl urea 177.25
    diisobutyl methanol 140.55
    2-phenylethanol 352.33
    styrene 465.89
    dioctyl adipate 249.6
    dimethyl sulfate 349.23
    ethyl butyrate 618.15
    methyl lactate 221.59
    butyl lactate 240.58
    diethyl carbonate 421.45
    propanediol butyl ether 288.61
    triethyl orthoformate 384.8
    p-tert-butyltoluene 114.94
    methyl 4-tert-butylbenzoate 308.24
    morpholine 1632.17
    tert-butylamine 329.87
    n-dodecanol 71.36
    dimethoxymethane 612.15
    ethylene carbonate 586.28
    cyrene 271.56
    2-ethoxyethyl acetate 584.58
    2-ethylhexyl acetate 523.28
    1,2,4-trichlorobenzene 691.7
    4-methylpyridine 1251.7
    dibutyl ether 373.73
    2,6-dimethyl-4-heptanol 140.55
    DEF 795.3
    dimethyl isosorbide 609.48
    tetrachloroethylene 1387.27
    eugenol 326.19
    triacetin 478.7
    span 80 299.18
    1,4-butanediol 165.48
    1,1-dichloroethane 1495.21
    2-methyl-1-pentanol 355.24
    methyl formate 349.68
    2-methyl-1-butanol 358.19
    n-decane 21.82
    butyronitrile 743.75
    3,7-dimethyl-1-octanol 181.9
    1-chlorooctane 125.1
    1-chlorotetradecane 46.61
    n-nonane 19.68
    undecane 15.31
    tert-butylcyclohexane 55.95
    cyclooctane 23.88
    cyclopentanol 206.06
    tetrahydropyran 1092.26
    tert-amyl methyl ether 388.94
    2,5,8-trioxanonane 774.59
    1-hexene 346.61
    2-isopropoxyethanol 439.7
    2,2,2-trifluoroethanol 196.77
    methyl butyrate 807.64

    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
Schizogyne glaberrima (Spain/Canary Islands) Schizogyne glaberrima DC., fam. Asteraceae (Compositae) 0.01%