1-Dodecen-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    58879-39-3

    Molecular formula
    C12H22O

    SMILES
    CCCCCCCCCC(=O)C=C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 51.86%
    Earthy 41.97%
    Mushroom 41.67%
    Fruity 40.78%
    Herbal 40.03%
    Citrus 39.44%
    Waxy 39.26%
    Metallic 38.64%
    Green 38.48%
    Fresh 37.61%

     

    Flavor
    Herbal 56.3%
    Fruity 45.98%
    Waxy 39.82%
    Fatty 37.54%
    Oily 32.67%
    Fresh 32.0%
    Green 31.89%
    Floral 31.73%
    Fat 30.65%
    Mushroom 30.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    8.14 (weak base)

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 93.62 ˚C est.

  • Synonyms

    • 1-Dodecen-3-one
    • 58879-39-3
    • DODEC-1-EN-3-ONE
    • SCHEMBL811784
    • DTXSID60510276
    • LMFA12000162
    • MFCD02259813
    • SY314197
    • G87089
    • 58879-39-3

  • Applications

    1-Dodecen-3-one, CAS 58879-39-3, is primarily used as a fragrance ingredient and as an intermediate in fragrance chemistry. It functions as an odor-active component in perfumery and is also employed in cosmetic and personal-care formulations to impart or modulate scent. In the flavor sector, it can be evaluated as an aroma compound or precursor for flavor chemistry. In household products and air fresheners, it often serves as a fragrance additive to provide a distinctive note. In industrial manufacturing, it is commonly used as an intermediate to synthesize other aroma- or fragrance-related compounds, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2344.07
    methanol 1663.32
    isopropanol 2660.06
    water 0.01
    ethyl acetate 5020.46
    n-propanol 2390.55
    acetone 5475.22
    n-butanol 2465.98
    acetonitrile 2334.2
    DMF 2422.01
    toluene 1569.25
    isobutanol 1847.21
    1,4-dioxane 3383.84
    methyl acetate 2768.06
    THF 6118.82
    2-butanone 5141.56
    n-pentanol 1871.54
    sec-butanol 2548.06
    n-hexane 2299.61
    ethylene glycol 75.9
    NMP 1926.01
    cyclohexane 1987.99
    DMSO 2901.45
    n-butyl acetate 5274.37
    n-octanol 880.58
    chloroform 4581.12
    n-propyl acetate 3781.87
    acetic acid 917.76
    dichloromethane 5037.51
    cyclohexanone 6232.79
    propylene glycol 227.05
    isopropyl acetate 3176.79
    DMAc 1775.43
    2-ethoxyethanol 1493.63
    isopentanol 2489.98
    n-heptane 908.43
    ethyl formate 1397.66
    1,2-dichloroethane 4040.17
    n-hexanol 2430.2
    2-methoxyethanol 2022.18
    isobutyl acetate 1914.41
    tetrachloromethane 914.89
    n-pentyl acetate 2326.79
    transcutol 6392.77
    n-heptanol 833.18
    ethylbenzene 1066.59
    MIBK 2406.74
    2-propoxyethanol 2534.49
    tert-butanol 3198.48
    MTBE 5189.21
    2-butoxyethanol 1240.84
    propionic acid 1126.66
    o-xylene 887.2
    formic acid 103.08
    diethyl ether 6333.81
    m-xylene 1017.97
    p-xylene 1237.03
    chlorobenzene 1858.35
    dimethyl carbonate 376.93
    n-octane 270.88
    formamide 209.27
    cyclopentanone 4420.98
    2-pentanone 5046.12
    anisole 1434.57
    cyclopentyl methyl ether 4145.12
    gamma-butyrolactone 3356.61
    1-methoxy-2-propanol 1986.75
    pyridine 3522.26
    3-pentanone 2919.14
    furfural 2067.02
    n-dodecane 113.69
    diethylene glycol 757.67
    diisopropyl ether 1800.21
    tert-amyl alcohol 2738.73
    acetylacetone 2897.64
    n-hexadecane 139.24
    acetophenone 1242.48
    methyl propionate 2358.14
    isopentyl acetate 3932.55
    trichloroethylene 5511.55
    n-nonanol 756.4
    cyclohexanol 2532.99
    benzyl alcohol 889.96
    2-ethylhexanol 1913.69
    isooctanol 779.37
    dipropyl ether 4011.82
    1,2-dichlorobenzene 1549.15
    ethyl lactate 609.38
    propylene carbonate 1806.96
    n-methylformamide 891.57
    2-pentanol 2347.64
    n-pentane 989.65
    1-propoxy-2-propanol 2535.35
    1-methoxy-2-propyl acetate 2602.09
    2-(2-methoxypropoxy) propanol 1065.51
    mesitylene 706.1
    ε-caprolactone 3956.1
    p-cymene 655.17
    epichlorohydrin 4019.53
    1,1,1-trichloroethane 3984.74
    2-aminoethanol 323.61
    morpholine-4-carbaldehyde 1949.35
    sulfolane 3093.2
    2,2,4-trimethylpentane 313.11
    2-methyltetrahydrofuran 6093.32
    n-hexyl acetate 2555.0
    isooctane 295.52
    2-(2-butoxyethoxy)ethanol 1531.42
    sec-butyl acetate 2407.55
    tert-butyl acetate 2926.3
    decalin 594.78
    glycerin 237.62
    diglyme 2900.08
    acrylic acid 569.4
    isopropyl myristate 791.78
    n-butyric acid 2865.7
    acetyl acetate 1552.95
    di(2-ethylhexyl) phthalate 474.99
    ethyl propionate 2694.15
    nitromethane 1783.54
    1,2-diethoxyethane 4503.44
    benzonitrile 1599.95
    trioctyl phosphate 392.26
    1-bromopropane 4305.7
    gamma-valerolactone 4158.58
    n-decanol 514.24
    triethyl phosphate 692.14
    4-methyl-2-pentanol 1184.13
    propionitrile 2561.95
    vinylene carbonate 1312.98
    1,1,2-trichlorotrifluoroethane 1637.39
    DMS 1140.87
    cumene 625.69
    2-octanol 749.25
    2-hexanone 3832.29
    octyl acetate 874.4
    limonene 1340.29
    1,2-dimethoxyethane 3924.47
    ethyl orthosilicate 742.77
    tributyl phosphate 592.8
    diacetone alcohol 1908.94
    N,N-dimethylaniline 838.83
    acrylonitrile 1901.78
    aniline 1275.93
    1,3-propanediol 760.07
    bromobenzene 2204.09
    dibromomethane 4251.48
    1,1,2,2-tetrachloroethane 4446.75
    2-methyl-cyclohexyl acetate 1522.07
    tetrabutyl urea 714.1
    diisobutyl methanol 1039.79
    2-phenylethanol 1091.58
    styrene 1391.78
    dioctyl adipate 953.42
    dimethyl sulfate 575.08
    ethyl butyrate 3101.31
    methyl lactate 467.85
    butyl lactate 1120.55
    diethyl carbonate 1360.23
    propanediol butyl ether 860.01
    triethyl orthoformate 1600.68
    p-tert-butyltoluene 617.0
    methyl 4-tert-butylbenzoate 876.25
    morpholine 4738.8
    tert-butylamine 2336.21
    n-dodecanol 380.22
    dimethoxymethane 1945.83
    ethylene carbonate 1351.39
    cyrene 663.37
    2-ethoxyethyl acetate 2134.19
    2-ethylhexyl acetate 3068.03
    1,2,4-trichlorobenzene 1593.08
    4-methylpyridine 3845.08
    dibutyl ether 3183.05
    2,6-dimethyl-4-heptanol 1039.79
    DEF 3686.78
    dimethyl isosorbide 1756.74
    tetrachloroethylene 2770.97
    eugenol 773.46
    triacetin 1328.8
    span 80 1020.23
    1,4-butanediol 283.32
    1,1-dichloroethane 4776.59
    2-methyl-1-pentanol 1817.29
    methyl formate 563.89
    2-methyl-1-butanol 2107.95
    n-decane 268.71
    butyronitrile 3463.97
    3,7-dimethyl-1-octanol 1097.52
    1-chlorooctane 997.23
    1-chlorotetradecane 295.84
    n-nonane 319.07
    undecane 163.35
    tert-butylcyclohexane 555.04
    cyclooctane 544.71
    cyclopentanol 2028.41
    tetrahydropyran 7516.0
    tert-amyl methyl ether 3094.68
    2,5,8-trioxanonane 1645.04
    1-hexene 5262.5
    2-isopropoxyethanol 1354.12
    2,2,2-trifluoroethanol 175.1
    methyl butyrate 3781.57

    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