3-Hexen-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    763-93-9

    Molecular formula
    C6H10O

    SMILES
    CC/C=C/C(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 86.72%
    Sweet 66.09%
    Pungent 60.48%
    Green 57.89%
    Ketonic 56.2%
    Spicy 55.25%
    Ethereal 53.25%
    Herbal 49.71%
    Cheesy 47.9%
    Nutty 47.67%

     

    Flavor
    Fruity 56.77%
    Ethereal 53.67%
    Pungent 46.85%
    Green 46.74%
    Sweet 38.2%
    Earthy 32.14%
    Fruit 31.37%
    Spicy 30.46%
    Vegetable 26.03%
    Fatty 25.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.75 (weak base)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    141°C

    Flash point

    • 22.92 ˚C est.

  • Synonyms

    • (E)-hex-3-en-2-one
    • 3-HEXEN-2-ONE
    • 1-Butenyl methyl ketone
    • 763-93-9
    • Methyl 1-butenyl ketone
    • 3-hexene-2-one
    • 3-hexen-2-on
    • hex-3-en-5-one
    • Hex-3-en-2-on
    • methyl-alpha-butenyl-ketone
    • CHEBI:141566
    • DTXSID801015852
    • 1Butenyl methyl ketone
    • RefChem:502166
    • DTXCID60910994
    • hex-3-en-2-one
    • 4376-23-2
    • (3E)-3-Hexen-2-one
    • 3-hexen-2-one(E)
    • (E)-3-hexen-2-one
    • (3e)-3-hexene-2-one
    • (3E)-hex-3-en-2-one
    • 3E-Hexene-2-one
    • 215457-81-1
    • trans-hexen-2-al
    • trans-3-hexen-2-one
    • trans-hex-3-en-2-one
    • 5A3B3N6UGZ
    • SCHEMBL319621
    • 3-Hexen-2-one, (3E)-
    • SCHEMBL22639089
    • LMFA12000019
    • AKOS015915359
    • (3E)-3-Hexen-2-one (>90%)
    • F73085
    • EN300-1828247
    • 763-93-9

  • Applications

    3-Hexen-2-one (CAS 763-93-9) is an unsaturated ketone with a green, fresh odor. In perfumery, it serves as an odorant and a note in fragrance profiles. In cosmetics and personal care, it can contribute to fragrance in products such as perfumes, lotions, and soaps. In household products and cleaners, it is used as a fragrance ingredient to impart a fresh, pleasant scent. In industrial manufacturing, it commonly serves as a chemical intermediate in the synthesis of aroma compounds and related building blocks. It may also act as a precursor for more complex fragrance materials within aroma-chemical supply chains.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 515.72
    methanol 666.31
    isopropanol 486.77
    water 4.78
    ethyl acetate 239.96
    n-propanol 468.84
    acetone 425.53
    n-butanol 427.22
    acetonitrile 315.41
    DMF 786.67
    toluene 150.98
    isobutanol 367.74
    1,4-dioxane 504.63
    methyl acetate 279.77
    THF 594.37
    2-butanone 336.39
    n-pentanol 282.31
    sec-butanol 445.32
    n-hexane 174.9
    ethylene glycol 224.8
    NMP 670.59
    cyclohexane 109.32
    DMSO 522.51
    n-butyl acetate 204.38
    n-octanol 263.56
    chloroform 720.39
    n-propyl acetate 137.49
    acetic acid 320.13
    dichloromethane 480.6
    cyclohexanone 446.85
    propylene glycol 300.03
    isopropyl acetate 163.51
    DMAc 560.47
    2-ethoxyethanol 282.11
    isopentanol 336.47
    n-heptane 91.08
    ethyl formate 160.63
    1,2-dichloroethane 277.01
    n-hexanol 470.29
    2-methoxyethanol 563.67
    isobutyl acetate 110.16
    tetrachloromethane 161.82
    n-pentyl acetate 162.86
    transcutol 766.08
    n-heptanol 195.62
    ethylbenzene 119.59
    MIBK 209.02
    2-propoxyethanol 504.69
    tert-butanol 567.75
    MTBE 364.64
    2-butoxyethanol 258.08
    propionic acid 366.84
    o-xylene 136.24
    formic acid 121.42
    diethyl ether 294.54
    m-xylene 147.8
    p-xylene 143.94
    chlorobenzene 200.66
    dimethyl carbonate 102.54
    n-octane 42.08
    formamide 103.02
    cyclopentanone 521.25
    2-pentanone 292.24
    anisole 203.02
    cyclopentyl methyl ether 341.76
    gamma-butyrolactone 469.48
    1-methoxy-2-propanol 509.28
    pyridine 309.36
    3-pentanone 221.8
    furfural 388.86
    n-dodecane 40.01
    diethylene glycol 399.7
    diisopropyl ether 118.02
    tert-amyl alcohol 454.71
    acetylacetone 284.22
    n-hexadecane 43.05
    acetophenone 179.65
    methyl propionate 222.41
    isopentyl acetate 205.28
    trichloroethylene 501.26
    n-nonanol 209.83
    cyclohexanol 355.85
    benzyl alcohol 185.17
    2-ethylhexanol 246.26
    isooctanol 155.98
    dipropyl ether 190.86
    1,2-dichlorobenzene 194.24
    ethyl lactate 130.81
    propylene carbonate 270.87
    n-methylformamide 274.52
    2-pentanol 335.46
    n-pentane 122.15
    1-propoxy-2-propanol 367.75
    1-methoxy-2-propyl acetate 223.18
    2-(2-methoxypropoxy) propanol 279.61
    mesitylene 107.73
    ε-caprolactone 350.09
    p-cymene 98.33
    epichlorohydrin 408.73
    1,1,1-trichloroethane 375.05
    2-aminoethanol 347.17
    morpholine-4-carbaldehyde 560.37
    sulfolane 632.17
    2,2,4-trimethylpentane 66.68
    2-methyltetrahydrofuran 493.41
    n-hexyl acetate 306.45
    isooctane 55.11
    2-(2-butoxyethoxy)ethanol 345.71
    sec-butyl acetate 115.3
    tert-butyl acetate 204.11
    decalin 77.69
    glycerin 338.32
    diglyme 491.26
    acrylic acid 310.54
    isopropyl myristate 131.81
    n-butyric acid 367.61
    acetyl acetate 148.1
    di(2-ethylhexyl) phthalate 128.08
    ethyl propionate 146.75
    nitromethane 375.8
    1,2-diethoxyethane 234.31
    benzonitrile 236.23
    trioctyl phosphate 104.47
    1-bromopropane 287.62
    gamma-valerolactone 535.44
    n-decanol 160.55
    triethyl phosphate 96.13
    4-methyl-2-pentanol 192.85
    propionitrile 286.14
    vinylene carbonate 231.12
    1,1,2-trichlorotrifluoroethane 375.61
    DMS 190.63
    cumene 105.91
    2-octanol 159.97
    2-hexanone 214.12
    octyl acetate 167.54
    limonene 159.57
    1,2-dimethoxyethane 413.96
    ethyl orthosilicate 97.44
    tributyl phosphate 114.95
    diacetone alcohol 309.26
    N,N-dimethylaniline 175.6
    acrylonitrile 319.85
    aniline 203.69
    1,3-propanediol 359.8
    bromobenzene 210.67
    dibromomethane 389.06
    1,1,2,2-tetrachloroethane 460.42
    2-methyl-cyclohexyl acetate 153.97
    tetrabutyl urea 152.54
    diisobutyl methanol 141.19
    2-phenylethanol 223.48
    styrene 140.92
    dioctyl adipate 164.14
    dimethyl sulfate 197.09
    ethyl butyrate 136.61
    methyl lactate 198.02
    butyl lactate 159.14
    diethyl carbonate 102.24
    propanediol butyl ether 324.08
    triethyl orthoformate 110.48
    p-tert-butyltoluene 102.6
    methyl 4-tert-butylbenzoate 215.68
    morpholine 552.78
    tert-butylamine 395.49
    n-dodecanol 128.32
    dimethoxymethane 308.38
    ethylene carbonate 176.75
    cyrene 206.82
    2-ethoxyethyl acetate 186.7
    2-ethylhexyl acetate 157.24
    1,2,4-trichlorobenzene 229.58
    4-methylpyridine 339.39
    dibutyl ether 208.93
    2,6-dimethyl-4-heptanol 141.19
    DEF 349.39
    dimethyl isosorbide 336.07
    tetrachloroethylene 306.32
    eugenol 221.87
    triacetin 247.33
    span 80 286.21
    1,4-butanediol 180.61
    1,1-dichloroethane 385.3
    2-methyl-1-pentanol 258.03
    methyl formate 191.52
    2-methyl-1-butanol 343.29
    n-decane 60.02
    butyronitrile 290.49
    3,7-dimethyl-1-octanol 227.54
    1-chlorooctane 169.13
    1-chlorotetradecane 77.44
    n-nonane 64.18
    undecane 47.26
    tert-butylcyclohexane 88.26
    cyclooctane 49.27
    cyclopentanol 412.69
    tetrahydropyran 457.17
    tert-amyl methyl ether 290.64
    2,5,8-trioxanonane 377.23
    1-hexene 293.29
    2-isopropoxyethanol 236.68
    2,2,2-trifluoroethanol 111.62
    methyl butyrate 191.4

    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