1-(4-Methylphenyl)octan-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    51770-83-3

    Molecular formula
    C15H22O

    SMILES
    CCCCCCCC(=O)C1=CC=C(C=C1)C

  • Odor profile

    Fragrance
    Floral 67.38%
    Herbal 49.49%
    Sweet 43.39%
    Balsamic 42.82%
    Jasmin 37.6%
    Waxy 37.13%
    Green 36.58%
    Fresh 35.74%
    Fruity 34.47%
    Oily 32.68%

     

    Flavor
    Herbal 63.88%
    Spicy 39.56%
    Woody 39.09%
    Balsam 31.98%
    Jasmin 29.76%
    Fresh 29.75%
    Floral 26.76%
    Celery 26.68%
    Warm 24.63%
    Herb 23.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.31 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 129.5 ˚C est.

  • Synonyms

    • 1-(4-methylphenyl)octan-1-one
    • 51770-83-3
    • DTXSID20403519
    • p-methyloctanophenone
    • SCHEMBL14716821
    • DTXCID00354373
    • AKOS009346647

  • Applications

    1-(4-Methylphenyl)octan-1-one, CAS 51770-83-3, is commonly used as an odorant in perfumery/fragrance formulations and as a fragrance component in cosmetics and personal care products; it can also serve as an intermediate in industrial manufacturing for the synthesis of more complex fragrance compounds; in household products such as cleaners and air fresheners it may contribute a woody-aromatic note as a fragrance additive; and in coatings and inks it has potential as a scent ingredient or odorant, though its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10152.67
    methanol 9285.33
    isopropanol 6880.01
    water 0.12
    ethyl acetate 17435.74
    n-propanol 8341.94
    acetone 19807.07
    n-butanol 6624.81
    acetonitrile 16602.81
    DMF 12520.99
    toluene 3798.48
    isobutanol 5254.03
    1,4-dioxane 10267.82
    methyl acetate 10264.97
    THF 8345.68
    2-butanone 13017.69
    n-pentanol 3298.46
    sec-butanol 5074.58
    n-hexane 691.17
    ethylene glycol 328.91
    NMP 4923.99
    cyclohexane 1104.78
    DMSO 7532.63
    n-butyl acetate 8362.55
    n-octanol 793.88
    chloroform 14466.22
    n-propyl acetate 6673.31
    acetic acid 3474.38
    dichloromethane 18526.73
    cyclohexanone 12472.25
    propylene glycol 748.53
    isopropyl acetate 8059.23
    DMAc 6228.53
    2-ethoxyethanol 3677.99
    isopentanol 4777.87
    n-heptane 216.77
    ethyl formate 5602.93
    1,2-dichloroethane 15239.79
    n-hexanol 3350.05
    2-methoxyethanol 7403.9
    isobutyl acetate 3064.43
    tetrachloromethane 1580.8
    n-pentyl acetate 2700.1
    transcutol 14226.02
    n-heptanol 869.04
    ethylbenzene 1585.52
    MIBK 4208.52
    2-propoxyethanol 4701.44
    tert-butanol 5968.86
    MTBE 9780.18
    2-butoxyethanol 1867.78
    propionic acid 3886.7
    o-xylene 1446.15
    formic acid 544.21
    diethyl ether 15269.92
    m-xylene 1763.23
    p-xylene 1797.2
    chlorobenzene 4761.22
    dimethyl carbonate 1950.56
    n-octane 86.11
    formamide 1798.89
    cyclopentanone 9369.26
    2-pentanone 11647.35
    anisole 3217.68
    cyclopentyl methyl ether 5553.38
    gamma-butyrolactone 8318.96
    1-methoxy-2-propanol 5144.83
    pyridine 10307.96
    3-pentanone 7125.16
    furfural 4995.38
    n-dodecane 58.38
    diethylene glycol 1795.43
    diisopropyl ether 2503.62
    tert-amyl alcohol 4068.21
    acetylacetone 7981.13
    n-hexadecane 73.58
    acetophenone 2465.52
    methyl propionate 8851.27
    isopentyl acetate 5754.71
    trichloroethylene 19681.57
    n-nonanol 691.07
    cyclohexanol 4093.86
    benzyl alcohol 1900.54
    2-ethylhexanol 1791.75
    isooctanol 738.84
    dipropyl ether 3750.91
    1,2-dichlorobenzene 3539.31
    ethyl lactate 1111.16
    propylene carbonate 4173.66
    n-methylformamide 5815.02
    2-pentanol 4167.53
    n-pentane 479.46
    1-propoxy-2-propanol 3544.16
    1-methoxy-2-propyl acetate 4680.54
    2-(2-methoxypropoxy) propanol 1385.2
    mesitylene 933.43
    ε-caprolactone 8467.96
    p-cymene 585.02
    epichlorohydrin 12087.64
    1,1,1-trichloroethane 9845.12
    2-aminoethanol 1522.27
    morpholine-4-carbaldehyde 5320.94
    sulfolane 5973.68
    2,2,4-trimethylpentane 192.73
    2-methyltetrahydrofuran 8741.9
    n-hexyl acetate 3072.69
    isooctane 163.53
    2-(2-butoxyethoxy)ethanol 2360.04
    sec-butyl acetate 3830.77
    tert-butyl acetate 5520.28
    decalin 376.7
    glycerin 684.26
    diglyme 5328.56
    acrylic acid 2069.67
    isopropyl myristate 905.4
    n-butyric acid 8371.97
    acetyl acetate 5043.6
    di(2-ethylhexyl) phthalate 560.04
    ethyl propionate 5488.81
    nitromethane 10328.68
    1,2-diethoxyethane 7444.24
    benzonitrile 3734.83
    trioctyl phosphate 423.61
    1-bromopropane 8966.68
    gamma-valerolactone 10806.78
    n-decanol 477.73
    triethyl phosphate 816.6
    4-methyl-2-pentanol 1530.13
    propionitrile 10148.98
    vinylene carbonate 3668.86
    1,1,2-trichlorotrifluoroethane 4046.49
    DMS 2396.92
    cumene 765.03
    2-octanol 622.2
    2-hexanone 5546.34
    octyl acetate 1080.37
    limonene 1106.6
    1,2-dimethoxyethane 8181.04
    ethyl orthosilicate 847.61
    tributyl phosphate 675.4
    diacetone alcohol 3378.81
    N,N-dimethylaniline 1381.17
    acrylonitrile 8927.39
    aniline 3903.61
    1,3-propanediol 2825.34
    bromobenzene 5265.84
    dibromomethane 11697.92
    1,1,2,2-tetrachloroethane 14126.66
    2-methyl-cyclohexyl acetate 1605.13
    tetrabutyl urea 841.61
    diisobutyl methanol 819.39
    2-phenylethanol 1792.84
    styrene 2550.33
    dioctyl adipate 1105.31
    dimethyl sulfate 2002.59
    ethyl butyrate 4257.14
    methyl lactate 1417.86
    butyl lactate 1445.41
    diethyl carbonate 2025.2
    propanediol butyl ether 1267.44
    triethyl orthoformate 1901.64
    p-tert-butyltoluene 528.13
    methyl 4-tert-butylbenzoate 1176.48
    morpholine 14403.52
    tert-butylamine 3855.93
    n-dodecanol 346.7
    dimethoxymethane 7798.68
    ethylene carbonate 3855.72
    cyrene 963.02
    2-ethoxyethyl acetate 3717.11
    2-ethylhexyl acetate 3877.79
    1,2,4-trichlorobenzene 3570.69
    4-methylpyridine 10947.03
    dibutyl ether 2798.41
    2,6-dimethyl-4-heptanol 819.39
    DEF 11408.18
    dimethyl isosorbide 2260.79
    tetrachloroethylene 8021.22
    eugenol 1149.95
    triacetin 1914.44
    span 80 1103.36
    1,4-butanediol 796.44
    1,1-dichloroethane 15503.57
    2-methyl-1-pentanol 2614.89
    methyl formate 3326.82
    2-methyl-1-butanol 4540.23
    n-decane 114.4
    butyronitrile 10348.38
    3,7-dimethyl-1-octanol 987.04
    1-chlorooctane 798.52
    1-chlorotetradecane 243.18
    n-nonane 117.45
    undecane 77.24
    tert-butylcyclohexane 319.95
    cyclooctane 216.21
    cyclopentanol 3117.74
    tetrahydropyran 14617.18
    tert-amyl methyl ether 4527.81
    2,5,8-trioxanonane 2579.23
    1-hexene 3578.13
    2-isopropoxyethanol 2556.34
    2,2,2-trifluoroethanol 782.81
    methyl butyrate 8024.27

    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