1-Hepten-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2918-13-0

    Molecular formula
    C7H12O

    SMILES
    CCCCC(=O)C=C

  • Odor profile

    Fragrance
    Metallic 58.19%
    Earthy 50.07%
    Pungent 50.03%
    Green 46.04%
    Mushroom 45.33%
    Vegetable 41.62%
    Herbal 39.23%
    Radish 36.81%
    Cheesy 34.8%
    Spicy 31.41%

     

    Flavor
    Herbal 31.29%
    Earthy 30.53%
    Mushroom 29.78%
    Pungent 28.52%
    Ethereal 27.83%
    Fruity 27.5%
    Oily 24.58%
    Cheese 24.58%
    Spicy 23.85%
    Nut 23.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.27 (weak base)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    146°C

    Flash point

    • 34.13 ˚C est.

  • Synonyms

    • 1-Hepten-3-one
    • hept-1-en-3-one
    • 2918-13-0
    • 1-heptene-3-one
    • n-butylacrolein
    • vinyl butyl ketone
    • CHEBI:87567
    • DTXSID50183438
    • SCHEMBL182308
    • DTXCID60105929
    • LMFA12000098
    • AKOS006271816
    • NS00124249
    • EN300-1700009
    • Q25384949

  • Applications

    1-Hepten-3-one (CAS 2918-13-0) is primarily used as an odorant and fragrance intermediate in the perfumery industry, supporting the synthesis of complex aroma compounds. In cosmetics and personal care, it often appears as a fragrance ingredient to impart or adjust scent. In household products, it can serve as a scent additive for cleaners, detergents, and air fresheners. In industrial manufacturing, it is employed as an intermediate or building block for the synthesis of specialty aroma compounds and related materials. Owing to its enone functionality, it is generally handled as part of organic synthesis workflows and may be evaluated for use in customized fragrance portfolios, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 375.54
    methanol 358.64
    isopropanol 351.15
    water 0.56
    ethyl acetate 197.63
    n-propanol 321.46
    acetone 283.2
    n-butanol 350.51
    acetonitrile 247.01
    DMF 394.44
    toluene 138.49
    isobutanol 279.45
    1,4-dioxane 362.22
    methyl acetate 210.95
    THF 453.01
    2-butanone 285.71
    n-pentanol 270.72
    sec-butanol 350.75
    n-hexane 122.03
    ethylene glycol 64.72
    NMP 371.07
    cyclohexane 122.88
    DMSO 365.33
    n-butyl acetate 435.19
    n-octanol 242.28
    chloroform 816.43
    n-propyl acetate 199.87
    acetic acid 258.59
    dichloromethane 661.81
    cyclohexanone 434.15
    propylene glycol 113.04
    isopropyl acetate 135.1
    DMAc 327.87
    2-ethoxyethanol 222.68
    isopentanol 314.01
    n-heptane 108.99
    ethyl formate 183.41
    1,2-dichloroethane 344.57
    n-hexanol 457.15
    2-methoxyethanol 298.2
    isobutyl acetate 143.26
    tetrachloromethane 146.63
    n-pentyl acetate 214.58
    transcutol 791.35
    n-heptanol 206.03
    ethylbenzene 138.9
    MIBK 154.33
    2-propoxyethanol 391.28
    tert-butanol 409.97
    MTBE 249.99
    2-butoxyethanol 241.33
    propionic acid 237.9
    o-xylene 122.46
    formic acid 56.26
    diethyl ether 213.29
    m-xylene 115.51
    p-xylene 178.71
    chlorobenzene 251.35
    dimethyl carbonate 55.6
    n-octane 44.2
    formamide 74.39
    cyclopentanone 401.39
    2-pentanone 222.16
    anisole 216.12
    cyclopentyl methyl ether 216.82
    gamma-butyrolactone 395.08
    1-methoxy-2-propanol 249.33
    pyridine 369.28
    3-pentanone 153.87
    furfural 422.67
    n-dodecane 39.2
    diethylene glycol 229.7
    diisopropyl ether 80.44
    tert-amyl alcohol 347.18
    acetylacetone 189.81
    n-hexadecane 43.12
    acetophenone 213.35
    methyl propionate 139.4
    isopentyl acetate 367.91
    trichloroethylene 660.92
    n-nonanol 198.62
    cyclohexanol 320.51
    benzyl alcohol 196.35
    2-ethylhexanol 317.32
    isooctanol 172.14
    dipropyl ether 239.88
    1,2-dichlorobenzene 241.94
    ethyl lactate 111.87
    propylene carbonate 283.78
    n-methylformamide 169.25
    2-pentanol 243.62
    n-pentane 84.36
    1-propoxy-2-propanol 360.53
    1-methoxy-2-propyl acetate 236.49
    2-(2-methoxypropoxy) propanol 280.97
    mesitylene 89.52
    ε-caprolactone 368.04
    p-cymene 136.92
    epichlorohydrin 400.97
    1,1,1-trichloroethane 388.16
    2-aminoethanol 146.74
    morpholine-4-carbaldehyde 357.58
    sulfolane 445.89
    2,2,4-trimethylpentane 48.44
    2-methyltetrahydrofuran 401.63
    n-hexyl acetate 331.44
    isooctane 41.63
    2-(2-butoxyethoxy)ethanol 331.72
    sec-butyl acetate 139.06
    tert-butyl acetate 155.11
    decalin 72.82
    glycerin 127.84
    diglyme 511.6
    acrylic acid 185.31
    isopropyl myristate 144.31
    n-butyric acid 347.65
    acetyl acetate 117.64
    di(2-ethylhexyl) phthalate 139.0
    ethyl propionate 140.61
    nitromethane 286.29
    1,2-diethoxyethane 309.85
    benzonitrile 336.26
    trioctyl phosphate 111.87
    1-bromopropane 305.82
    gamma-valerolactone 433.86
    n-decanol 149.66
    triethyl phosphate 124.0
    4-methyl-2-pentanol 154.82
    propionitrile 263.52
    vinylene carbonate 268.38
    1,1,2-trichlorotrifluoroethane 284.83
    DMS 174.48
    cumene 115.13
    2-octanol 168.99
    2-hexanone 261.37
    octyl acetate 176.38
    limonene 207.3
    1,2-dimethoxyethane 410.41
    ethyl orthosilicate 119.27
    tributyl phosphate 139.66
    diacetone alcohol 211.85
    N,N-dimethylaniline 160.39
    acrylonitrile 289.65
    aniline 178.97
    1,3-propanediol 208.45
    bromobenzene 267.43
    dibromomethane 503.72
    1,1,2,2-tetrachloroethane 533.85
    2-methyl-cyclohexyl acetate 227.4
    tetrabutyl urea 181.04
    diisobutyl methanol 171.95
    2-phenylethanol 253.42
    styrene 173.65
    dioctyl adipate 197.15
    dimethyl sulfate 95.63
    ethyl butyrate 261.45
    methyl lactate 101.08
    butyl lactate 191.97
    diethyl carbonate 178.97
    propanediol butyl ether 249.24
    triethyl orthoformate 171.65
    p-tert-butyltoluene 122.52
    methyl 4-tert-butylbenzoate 207.66
    morpholine 405.61
    tert-butylamine 309.43
    n-dodecanol 122.37
    dimethoxymethane 165.57
    ethylene carbonate 210.68
    cyrene 172.63
    2-ethoxyethyl acetate 222.44
    2-ethylhexyl acetate 289.0
    1,2,4-trichlorobenzene 269.82
    4-methylpyridine 383.85
    dibutyl ether 248.24
    2,6-dimethyl-4-heptanol 171.95
    DEF 247.08
    dimethyl isosorbide 359.4
    tetrachloroethylene 348.71
    eugenol 218.39
    triacetin 245.44
    span 80 271.67
    1,4-butanediol 116.77
    1,1-dichloroethane 410.76
    2-methyl-1-pentanol 264.78
    methyl formate 123.9
    2-methyl-1-butanol 290.03
    n-decane 58.89
    butyronitrile 338.81
    3,7-dimethyl-1-octanol 240.29
    1-chlorooctane 173.04
    1-chlorotetradecane 78.84
    n-nonane 61.68
    undecane 46.51
    tert-butylcyclohexane 75.66
    cyclooctane 42.54
    cyclopentanol 304.9
    tetrahydropyran 406.28
    tert-amyl methyl ether 187.29
    2,5,8-trioxanonane 396.2
    1-hexene 283.41
    2-isopropoxyethanol 191.43
    2,2,2-trifluoroethanol 64.82
    methyl butyrate 240.12

    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