Cyclohexylacetone

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  • Identifiers

    CAS number
    103-78-6

    Molecular formula
    C9H16O

    SMILES
    CC(=O)CC1CCCCC1

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 65.64%
    Floral 62.2%
    Green 56.46%
    Woody 45.37%
    Herbal 43.3%
    Fresh 40.29%
    Mint 34.51%
    Fatty 33.85%
    Sweet 32.08%
    Jasmin 31.46%

     

    Flavor
    Fruity 53.08%
    Spicy 34.85%
    Green 34.79%
    Sweet 32.84%
    Herbal 32.1%
    Woody 31.15%
    Minty 29.49%
    Earthy 27.83%
    Mint 26.7%
    Fruit 25.47%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.11 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 74.79 ˚C est.

  • Synonyms

    • Cyclohexylacetone
    • Acetonylcyclohexane
    • 2-Propanone, 1-cyclohexyl-
    • 1-Cyclohexyl-2-propanone
    • V54Y1GAG9I
    • EINECS 203-143-9
    • NSC 15332
    • NSC-15332
    • UNII-V54Y1GAG9I
    • AI3-24773
    • DTXSID2059279
    • 2-PROPANONE, CYCLOHEXYL-
    • RefChem:129698
    • DTXCID2032768
    • UHBZEAPZATVYKV-UHFFFAOYSA-N
    • 103-78-6
    • 1-cyclohexylpropan-2-one
    • 1-Cyclohexylacetone
    • Cyclohexyl-2-propanone
    • MFCD00019396
    • Cyclohexylaceton
    • NSC15332
    • 1-Cyclohexylacetone #
    • 1-cyclohexyl-propan-2-one
    • methyl cyclohexylmethyl ketone
    • SCHEMBL363901
    • SCHEMBL7976967
    • 1-Cyclohexylacetone, AldrichCPR
    • SCHEMBL27754641
    • SCHEMBL28033618
    • AKOS005206704
    • FC32102
    • AS-56904
    • SY106383
    • DB-040485
    • CS-0155063
    • NS00023261
    • ST50823704
    • D84585
    • EN300-122191
    • F403679
    • Q5198719
    • 103-78-6

  • Applications

    Cyclohexylacetone (CAS 103-78-6) is primarily used as an industrial intermediate and solvent. It is commonly evaluated as a building block for fragrance ingredients in perfumery, enabling synthesis of cyclohexyl-containing aroma compounds. In cosmetics and personal care, it may be employed as a fragrance component or processing aid in small quantities. In coatings and inks, it serves as a solvent for resins and pigments, supporting formulation and application. In polymers and plastics manufacturing, cyclohexylacetone can function as a chemical intermediate for specialty monomer synthesis or as a processing solvent. In general industrial manufacturing, it may be used as a solvent or formulation component where permitted by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1143.64
    methanol 962.47
    isopropanol 1285.41
    water 0.79
    ethyl acetate 702.67
    n-propanol 1020.34
    acetone 1225.15
    n-butanol 954.68
    acetonitrile 1109.39
    DMF 1069.29
    toluene 506.28
    isobutanol 778.33
    1,4-dioxane 1428.26
    methyl acetate 665.21
    THF 1786.69
    2-butanone 851.34
    n-pentanol 463.03
    sec-butanol 867.92
    n-hexane 290.54
    ethylene glycol 211.74
    NMP 828.18
    cyclohexane 490.62
    DMSO 1044.13
    n-butyl acetate 725.64
    n-octanol 360.04
    chloroform 3510.01
    n-propyl acetate 380.27
    acetic acid 713.89
    dichloromethane 2317.91
    cyclohexanone 1371.03
    propylene glycol 426.61
    isopropyl acetate 430.91
    DMAc 523.47
    2-ethoxyethanol 396.0
    isopentanol 728.89
    n-heptane 274.33
    ethyl formate 537.23
    1,2-dichloroethane 1132.86
    n-hexanol 929.67
    2-methoxyethanol 837.49
    isobutyl acetate 265.25
    tetrachloromethane 543.71
    n-pentyl acetate 367.25
    transcutol 1399.38
    n-heptanol 352.0
    ethylbenzene 270.9
    MIBK 412.32
    2-propoxyethanol 850.03
    tert-butanol 1178.6
    MTBE 685.08
    2-butoxyethanol 425.22
    propionic acid 797.37
    o-xylene 304.21
    formic acid 159.28
    diethyl ether 752.04
    m-xylene 349.19
    p-xylene 319.22
    chlorobenzene 735.81
    dimethyl carbonate 176.2
    n-octane 84.22
    formamide 204.4
    cyclopentanone 1391.04
    2-pentanone 704.12
    anisole 428.67
    cyclopentyl methyl ether 797.05
    gamma-butyrolactone 1359.23
    1-methoxy-2-propanol 785.17
    pyridine 1206.07
    3-pentanone 488.64
    furfural 1043.75
    n-dodecane 57.92
    diethylene glycol 508.37
    diisopropyl ether 231.89
    tert-amyl alcohol 686.37
    acetylacetone 654.13
    n-hexadecane 66.37
    acetophenone 374.18
    methyl propionate 488.55
    isopentyl acetate 586.58
    trichloroethylene 2041.26
    n-nonanol 298.65
    cyclohexanol 971.47
    benzyl alcohol 343.36
    2-ethylhexanol 466.07
    isooctanol 271.65
    dipropyl ether 621.66
    1,2-dichlorobenzene 613.42
    ethyl lactate 202.82
    propylene carbonate 838.42
    n-methylformamide 571.33
    2-pentanol 643.44
    n-pentane 272.89
    1-propoxy-2-propanol 713.43
    1-methoxy-2-propyl acetate 521.83
    2-(2-methoxypropoxy) propanol 405.76
    mesitylene 223.67
    ε-caprolactone 1014.2
    p-cymene 228.03
    epichlorohydrin 1292.33
    1,1,1-trichloroethane 1319.69
    2-aminoethanol 485.29
    morpholine-4-carbaldehyde 892.71
    sulfolane 1376.26
    2,2,4-trimethylpentane 79.5
    2-methyltetrahydrofuran 1266.75
    n-hexyl acetate 556.45
    isooctane 77.9
    2-(2-butoxyethoxy)ethanol 553.88
    sec-butyl acetate 255.71
    tert-butyl acetate 438.88
    decalin 137.69
    glycerin 407.3
    diglyme 877.25
    acrylic acid 587.04
    isopropyl myristate 244.4
    n-butyric acid 1103.3
    acetyl acetate 405.1
    di(2-ethylhexyl) phthalate 211.78
    ethyl propionate 328.43
    nitromethane 912.33
    1,2-diethoxyethane 549.86
    benzonitrile 682.03
    trioctyl phosphate 172.95
    1-bromopropane 1021.2
    gamma-valerolactone 1397.99
    n-decanol 222.48
    triethyl phosphate 197.56
    4-methyl-2-pentanol 330.28
    propionitrile 1004.55
    vinylene carbonate 731.08
    1,1,2-trichlorotrifluoroethane 849.98
    DMS 350.69
    cumene 192.47
    2-octanol 250.17
    2-hexanone 456.19
    octyl acetate 290.77
    limonene 383.29
    1,2-dimethoxyethane 801.9
    ethyl orthosilicate 189.61
    tributyl phosphate 208.23
    diacetone alcohol 506.37
    N,N-dimethylaniline 266.41
    acrylonitrile 980.52
    aniline 587.72
    1,3-propanediol 607.26
    bromobenzene 786.53
    dibromomethane 1761.85
    1,1,2,2-tetrachloroethane 1741.78
    2-methyl-cyclohexyl acetate 339.16
    tetrabutyl urea 256.97
    diisobutyl methanol 289.85
    2-phenylethanol 427.9
    styrene 350.58
    dioctyl adipate 331.57
    dimethyl sulfate 266.57
    ethyl butyrate 465.72
    methyl lactate 286.88
    butyl lactate 327.55
    diethyl carbonate 285.55
    propanediol butyl ether 458.41
    triethyl orthoformate 307.79
    p-tert-butyltoluene 222.63
    methyl 4-tert-butylbenzoate 379.69
    morpholine 1526.3
    tert-butylamine 853.52
    n-dodecanol 173.68
    dimethoxymethane 546.37
    ethylene carbonate 636.03
    cyrene 298.46
    2-ethoxyethyl acetate 405.84
    2-ethylhexyl acetate 441.01
    1,2,4-trichlorobenzene 660.23
    4-methylpyridine 993.5
    dibutyl ether 449.69
    2,6-dimethyl-4-heptanol 289.85
    DEF 579.94
    dimethyl isosorbide 615.37
    tetrachloroethylene 1093.2
    eugenol 336.22
    triacetin 451.53
    span 80 469.7
    1,4-butanediol 210.82
    1,1-dichloroethane 1496.35
    2-methyl-1-pentanol 359.65
    methyl formate 414.97
    2-methyl-1-butanol 614.92
    n-decane 101.55
    butyronitrile 1070.28
    3,7-dimethyl-1-octanol 346.86
    1-chlorooctane 299.88
    1-chlorotetradecane 121.44
    n-nonane 110.44
    undecane 73.72
    tert-butylcyclohexane 115.15
    cyclooctane 144.0
    cyclopentanol 1012.13
    tetrahydropyran 1569.87
    tert-amyl methyl ether 415.12
    2,5,8-trioxanonane 611.51
    1-hexene 587.79
    2-isopropoxyethanol 312.55
    2,2,2-trifluoroethanol 226.11
    methyl butyrate 479.83

    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