1-Hexen-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1629-60-3

    Molecular formula
    C6H10O

    SMILES
    CCCC(=O)C=C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Pungent 64.2%
    Metallic 57.32%
    Green 57.23%
    Radish 47.86%
    Vegetable 47.62%
    Earthy 46.24%
    Ethereal 41.46%
    Spicy 39.84%
    Alliaceous 38.43%
    Burnt 37.68%

     

    Flavor
    Pungent 39.79%
    Fruity 36.38%
    Ethereal 35.62%
    Caramel 33.29%
    Sweet 31.99%
    Butter 31.56%
    Cheese 30.83%
    Nutty 28.3%
    Earthy 24.55%
    Nut 24.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.31 (weak base)

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Flash point

    • 15.03 ˚C est.

  • Synonyms

    • 1-HEXEN-3-ONE
    • 1629-60-3
    • Hex-1-en-3-one
    • Propyl vinyl ketone
    • 1-Hexenone-3
    • Vinyl propyl ketone
    • UNII-QH9D98Z86N
    • QH9D98Z86N
    • EINECS 216-625-9
    • DTXSID0075102
    • n-propylacrolein
    • MFCD00051563
    • 1-HEXENE-3-ONE
    • CHEMBL4092222
    • DTXCID1035232
    • SCHEMBL11217045
    • AKOS009156378
    • FH31296
    • NS00021724
    • Q25385016
    • 1-Hexen-3-one, 90+%, stab. with 0.5% 4-methoxyphenol

  • Applications

    1-Hexen-3-one (CAS 1629-60-3) functions as an intermediate and odorant across several industries; in perfumery and cosmetics it is used as a fragrance ingredient contributing green, fresh notes; in the flavor/aroma sector it is evaluated as a potential flavor component; in industrial manufacturing it serves as a reactive intermediate for the synthesis of specialty chemicals and certain polymers; in coatings and inks it may be employed as a fragrance additive or processing intermediate; in household cleaning products it can be added to impart a perceived fresh note.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 600.18
    methanol 803.48
    isopropanol 527.13
    water 3.3
    ethyl acetate 535.16
    n-propanol 515.86
    acetone 771.42
    n-butanol 538.84
    acetonitrile 702.61
    DMF 836.98
    toluene 236.96
    isobutanol 444.08
    1,4-dioxane 803.73
    methyl acetate 555.62
    THF 1057.13
    2-butanone 666.1
    n-pentanol 457.88
    sec-butanol 537.0
    n-hexane 266.88
    ethylene glycol 138.27
    NMP 1147.22
    cyclohexane 181.57
    DMSO 886.86
    n-butyl acetate 720.03
    n-octanol 416.4
    chloroform 1293.33
    n-propyl acetate 494.84
    acetic acid 674.06
    dichloromethane 1113.22
    cyclohexanone 960.62
    propylene glycol 190.55
    isopropyl acetate 353.31
    DMAc 671.58
    2-ethoxyethanol 412.52
    isopentanol 492.36
    n-heptane 141.53
    ethyl formate 367.54
    1,2-dichloroethane 660.45
    n-hexanol 617.64
    2-methoxyethanol 590.11
    isobutyl acetate 337.58
    tetrachloromethane 288.52
    n-pentyl acetate 455.31
    transcutol 1570.59
    n-heptanol 298.57
    ethylbenzene 222.83
    MIBK 368.51
    2-propoxyethanol 665.49
    tert-butanol 656.38
    MTBE 538.67
    2-butoxyethanol 402.95
    propionic acid 590.57
    o-xylene 213.27
    formic acid 183.74
    diethyl ether 502.22
    m-xylene 218.92
    p-xylene 317.96
    chlorobenzene 488.89
    dimethyl carbonate 161.57
    n-octane 73.7
    formamide 189.5
    cyclopentanone 1096.22
    2-pentanone 559.54
    anisole 370.99
    cyclopentyl methyl ether 589.76
    gamma-butyrolactone 1151.89
    1-methoxy-2-propanol 503.9
    pyridine 624.87
    3-pentanone 426.77
    furfural 851.0
    n-dodecane 60.35
    diethylene glycol 430.05
    diisopropyl ether 213.83
    tert-amyl alcohol 593.64
    acetylacetone 562.95
    n-hexadecane 66.7
    acetophenone 395.53
    methyl propionate 398.0
    isopentyl acetate 613.79
    trichloroethylene 1281.69
    n-nonanol 333.84
    cyclohexanol 523.28
    benzyl alcohol 310.98
    2-ethylhexanol 419.88
    isooctanol 265.17
    dipropyl ether 392.32
    1,2-dichlorobenzene 474.03
    ethyl lactate 228.13
    propylene carbonate 647.5
    n-methylformamide 393.61
    2-pentanol 438.2
    n-pentane 156.12
    1-propoxy-2-propanol 561.93
    1-methoxy-2-propyl acetate 433.52
    2-(2-methoxypropoxy) propanol 440.61
    mesitylene 173.17
    ε-caprolactone 843.98
    p-cymene 188.77
    epichlorohydrin 900.59
    1,1,1-trichloroethane 793.78
    2-aminoethanol 246.85
    morpholine-4-carbaldehyde 834.45
    sulfolane 1339.24
    2,2,4-trimethylpentane 99.58
    2-methyltetrahydrofuran 990.25
    n-hexyl acetate 731.48
    isooctane 82.3
    2-(2-butoxyethoxy)ethanol 565.12
    sec-butyl acetate 337.54
    tert-butyl acetate 411.11
    decalin 127.43
    glycerin 239.92
    diglyme 887.61
    acrylic acid 508.97
    isopropyl myristate 264.8
    n-butyric acid 731.64
    acetyl acetate 331.64
    di(2-ethylhexyl) phthalate 229.32
    ethyl propionate 400.55
    nitromethane 915.49
    1,2-diethoxyethane 600.67
    benzonitrile 546.11
    trioctyl phosphate 193.43
    1-bromopropane 577.19
    gamma-valerolactone 1000.35
    n-decanol 242.97
    triethyl phosphate 205.68
    4-methyl-2-pentanol 254.9
    propionitrile 536.54
    vinylene carbonate 567.04
    1,1,2-trichlorotrifluoroethane 578.16
    DMS 393.13
    cumene 193.25
    2-octanol 279.49
    2-hexanone 570.31
    octyl acetate 335.24
    limonene 276.71
    1,2-dimethoxyethane 768.88
    ethyl orthosilicate 208.13
    tributyl phosphate 259.32
    diacetone alcohol 447.21
    N,N-dimethylaniline 294.16
    acrylonitrile 610.84
    aniline 315.95
    1,3-propanediol 367.27
    bromobenzene 526.91
    dibromomethane 845.01
    1,1,2,2-tetrachloroethane 1021.36
    2-methyl-cyclohexyl acetate 386.37
    tetrabutyl urea 309.69
    diisobutyl methanol 243.25
    2-phenylethanol 364.49
    styrene 277.28
    dioctyl adipate 349.64
    dimethyl sulfate 301.44
    ethyl butyrate 450.11
    methyl lactate 233.64
    butyl lactate 341.31
    diethyl carbonate 287.85
    propanediol butyl ether 454.8
    triethyl orthoformate 290.04
    p-tert-butyltoluene 176.17
    methyl 4-tert-butylbenzoate 364.2
    morpholine 817.23
    tert-butylamine 480.5
    n-dodecanol 186.82
    dimethoxymethane 389.65
    ethylene carbonate 452.56
    cyrene 334.67
    2-ethoxyethyl acetate 445.2
    2-ethylhexyl acetate 477.04
    1,2,4-trichlorobenzene 516.78
    4-methylpyridine 731.16
    dibutyl ether 493.97
    2,6-dimethyl-4-heptanol 243.25
    DEF 609.74
    dimethyl isosorbide 637.25
    tetrachloroethylene 690.72
    eugenol 385.85
    triacetin 505.76
    span 80 422.41
    1,4-butanediol 208.49
    1,1-dichloroethane 807.44
    2-methyl-1-pentanol 452.87
    methyl formate 325.68
    2-methyl-1-butanol 481.58
    n-decane 98.61
    butyronitrile 624.05
    3,7-dimethyl-1-octanol 374.24
    1-chlorooctane 310.24
    1-chlorotetradecane 128.73
    n-nonane 108.53
    undecane 74.16
    tert-butylcyclohexane 149.29
    cyclooctane 71.75
    cyclopentanol 594.68
    tetrahydropyran 845.5
    tert-amyl methyl ether 424.26
    2,5,8-trioxanonane 607.42
    1-hexene 557.48
    2-isopropoxyethanol 360.03
    2,2,2-trifluoroethanol 195.97
    methyl butyrate 570.37

    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