3-Heptene

Overview IFRA Request a quote

  • Identifiers

    CAS number
    592-78-9

    Molecular formula
    C7H14

    SMILES
    CCCC=CCC

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Gassy 65.88%
    Green 33.06%
    Sweet 27.88%
    Fresh 26.63%
    Ethereal 25.38%
    Citrus 22.2%
    Fruity 18.52%
    Fishy 18.24%
    Vegetable 18.23%
    Sharp 15.6%

     

    Flavor
    Alkane 35.69%
    Citrus 26.4%
    Gasoline 24.1%
    Rotten 20.09%
    Honeydew 20.06%
    Fishy 19.83%
    Biscuit 19.75%
    Ammoniacal 19.46%
    Glue 19.4%
    Fresh 19.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.1 (weak base)

    Molecular weight
    98.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    91°C

    Flash point

    • -2.9 ˚C est.

  • Synonyms

    • 3-HEPTENE
    • 592-78-9
    • DTXSID10860874
    • RM79G20M41
    • RefChem:502137
    • DTXCID80810280
    • 209-769-9
    • Hept-3-ene
    • 3-Heptene (c,t)
    • 3-aHeptene
    • hept-4-ene
    • SCHEMBL38196
    • SCHEMBL56543
    • SCHEMBL83366
    • SCHEMBL83696
    • SCHEMBL84464
    • SCHEMBL103394
    • SCHEMBL386400
    • SCHEMBL386401
    • SCHEMBL618069
    • SCHEMBL618070
    • SCHEMBL1524660
    • SCHEMBL1758586
    • SCHEMBL2119289
    • SCHEMBL2141086
    • SCHEMBL4115782
    • SCHEMBL6118701
    • SCHEMBL6639982
    • SCHEMBL9761036
    • SCHEMBL27610559
    • H0044
    • NS00042656
    • H52713
    • 592-78-9

  • Applications

    3-Heptene, CAS 592-78-9, is used primarily as a reactive building block in industrial synthesis; it serves as a feedstock for hydroformylation to yield C8 aldehydes and subsequent derivatives such as alcohols or acids; it can function as a monomer or comonomer in specialty polymer synthesis to tailor material properties; it can act as a processing solvent or diluent in coatings, inks, and adhesive formulations; and it serves as a feedstock for downstream synthesis of higher-value chemicals through functionalization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1532.94
    methanol 645.76
    isopropanol 1641.44
    water 0.03
    ethyl acetate 1782.61
    n-propanol 1531.12
    acetone 1713.65
    n-butanol 2230.28
    acetonitrile 1034.8
    DMF 860.03
    toluene 1528.78
    isobutanol 1290.04
    1,4-dioxane 2905.18
    methyl acetate 1048.65
    THF 5633.34
    2-butanone 1753.26
    n-pentanol 1380.73
    sec-butanol 1895.61
    n-hexane 3692.29
    ethylene glycol 78.69
    NMP 884.15
    cyclohexane 4549.1
    DMSO 1454.07
    n-butyl acetate 5365.79
    n-octanol 1339.96
    chloroform 3622.11
    n-propyl acetate 1370.49
    acetic acid 560.51
    dichloromethane 3299.81
    cyclohexanone 2654.7
    propylene glycol 189.4
    isopropyl acetate 1162.72
    DMAc 568.88
    2-ethoxyethanol 737.59
    isopentanol 1888.67
    n-heptane 7889.77
    ethyl formate 737.5
    1,2-dichloroethane 2245.12
    n-hexanol 4573.09
    2-methoxyethanol 1045.51
    isobutyl acetate 843.01
    tetrachloromethane 1066.89
    n-pentyl acetate 1475.44
    transcutol 2717.72
    n-heptanol 1363.55
    ethylbenzene 840.62
    MIBK 1138.45
    2-propoxyethanol 2403.88
    tert-butanol 2351.96
    MTBE 2811.34
    2-butoxyethanol 1050.9
    propionic acid 619.42
    o-xylene 675.77
    formic acid 44.29
    diethyl ether 3939.66
    m-xylene 871.48
    p-xylene 866.96
    chlorobenzene 1221.46
    dimethyl carbonate 180.65
    n-octane 1387.43
    formamide 74.83
    cyclopentanone 2229.49
    2-pentanone 2051.38
    anisole 815.57
    cyclopentyl methyl ether 3014.5
    gamma-butyrolactone 1565.32
    1-methoxy-2-propanol 1096.86
    pyridine 2250.72
    3-pentanone 1155.79
    furfural 963.87
    n-dodecane 549.03
    diethylene glycol 582.15
    diisopropyl ether 1254.44
    tert-amyl alcohol 1941.62
    acetylacetone 1017.46
    n-hexadecane 620.98
    acetophenone 530.18
    methyl propionate 871.5
    isopentyl acetate 3515.4
    trichloroethylene 2543.73
    n-nonanol 1138.06
    cyclohexanol 2120.21
    benzyl alcohol 473.92
    2-ethylhexanol 4066.67
    isooctanol 1077.44
    dipropyl ether 6886.22
    1,2-dichlorobenzene 846.0
    ethyl lactate 268.74
    propylene carbonate 970.51
    n-methylformamide 338.01
    2-pentanol 2021.56
    n-pentane 2970.17
    1-propoxy-2-propanol 2883.85
    1-methoxy-2-propyl acetate 1578.37
    2-(2-methoxypropoxy) propanol 670.43
    mesitylene 560.58
    ε-caprolactone 1921.79
    p-cymene 1221.82
    epichlorohydrin 2284.21
    1,1,1-trichloroethane 2596.23
    2-aminoethanol 240.63
    morpholine-4-carbaldehyde 939.51
    sulfolane 1516.41
    2,2,4-trimethylpentane 685.28
    2-methyltetrahydrofuran 5134.25
    n-hexyl acetate 1789.44
    isooctane 701.91
    2-(2-butoxyethoxy)ethanol 1062.89
    sec-butyl acetate 849.69
    tert-butyl acetate 1153.58
    decalin 946.32
    glycerin 169.11
    diglyme 1962.1
    acrylic acid 313.36
    isopropyl myristate 778.55
    n-butyric acid 1674.02
    acetyl acetate 655.99
    di(2-ethylhexyl) phthalate 390.39
    ethyl propionate 977.42
    nitromethane 658.11
    1,2-diethoxyethane 3181.29
    benzonitrile 880.75
    trioctyl phosphate 395.88
    1-bromopropane 4334.17
    gamma-valerolactone 1729.3
    n-decanol 834.02
    triethyl phosphate 568.6
    4-methyl-2-pentanol 976.05
    propionitrile 1359.24
    vinylene carbonate 645.64
    1,1,2-trichlorotrifluoroethane 765.31
    DMS 467.6
    cumene 496.97
    2-octanol 1023.96
    2-hexanone 1739.83
    octyl acetate 883.11
    limonene 2700.58
    1,2-dimethoxyethane 2172.22
    ethyl orthosilicate 692.12
    tributyl phosphate 507.14
    diacetone alcohol 900.78
    N,N-dimethylaniline 523.64
    acrylonitrile 890.11
    aniline 947.97
    1,3-propanediol 527.61
    bromobenzene 1640.32
    dibromomethane 3726.43
    1,1,2,2-tetrachloroethane 2210.28
    2-methyl-cyclohexyl acetate 1329.09
    tetrabutyl urea 645.91
    diisobutyl methanol 1767.96
    2-phenylethanol 1040.35
    styrene 1005.45
    dioctyl adipate 778.12
    dimethyl sulfate 213.37
    ethyl butyrate 2840.46
    methyl lactate 213.24
    butyl lactate 628.25
    diethyl carbonate 1132.98
    propanediol butyl ether 586.91
    triethyl orthoformate 1671.57
    p-tert-butyltoluene 1123.94
    methyl 4-tert-butylbenzoate 545.98
    morpholine 3314.89
    tert-butylamine 2380.15
    n-dodecanol 683.12
    dimethoxymethane 995.89
    ethylene carbonate 683.84
    cyrene 349.05
    2-ethoxyethyl acetate 1050.41
    2-ethylhexyl acetate 3087.88
    1,2,4-trichlorobenzene 808.31
    4-methylpyridine 2110.06
    dibutyl ether 3898.02
    2,6-dimethyl-4-heptanol 1767.96
    DEF 1425.86
    dimethyl isosorbide 1132.12
    tetrachloroethylene 1442.42
    eugenol 452.36
    triacetin 623.28
    span 80 912.84
    1,4-butanediol 186.52
    1,1-dichloroethane 2638.53
    2-methyl-1-pentanol 1170.89
    methyl formate 238.02
    2-methyl-1-butanol 1610.84
    n-decane 1108.57
    butyronitrile 2498.99
    3,7-dimethyl-1-octanol 1452.77
    1-chlorooctane 1715.74
    1-chlorotetradecane 621.29
    n-nonane 1431.99
    undecane 728.95
    tert-butylcyclohexane 881.2
    cyclooctane 1630.6
    cyclopentanol 1764.04
    tetrahydropyran 6056.1
    tert-amyl methyl ether 1892.21
    2,5,8-trioxanonane 1094.4
    1-hexene 5096.67
    2-isopropoxyethanol 668.67
    2,2,2-trifluoroethanol 74.06
    methyl butyrate 1388.19

    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