2-Heptene

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  • Identifiers

    CAS number
    592-77-8

    Molecular formula
    C7H14

    SMILES
    CCCCC=CC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Gassy 63.54%
    Green 35.14%
    Fresh 30.01%
    Citrus 29.87%
    Fruity 27.42%
    Sweet 26.41%
    Herbal 24.56%
    Ethereal 23.83%
    Vegetable 20.69%
    Fishy 18.82%

     

    Flavor
    Citrus 36.27%
    Alkane 31.71%
    Gasoline 25.85%
    Fresh 24.46%
    Honeydew 20.87%
    Green 20.73%
    Biscuit 20.53%
    Rotten 20.52%
    Pumpkin 20.08%
    Grapefruit peel 20.07%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.07 (weak base)

    Molecular weight
    98.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    97°C

    Flash point

    • -3.23 ˚C est.

  • Synonyms

    • Hept-2-ene
    • 2-HEPTENE
    • heptene-2
    • 2-C7H14
    • UNII-ECH654N3CO
    • ECH654N3CO
    • DTXSID0074718
    • EINECS 209-768-3
    • n2Heptene
    • Hept2ene
    • Heptene2
    • RefChem:87252
    • Heptene2 (cis, trans)
    • DTXCID1042574
    • 2Heptene (cis and trans mixture)
    • 2-HEPTENE (CIS-AND TRANS-MIXTURE)
    • OTTZHAVKAVGASB-UHFFFAOYSA-N
    • 592-77-8
    • SCHEMBL21160
    • SCHEMBL50914
    • SCHEMBL83102
    • SCHEMBL84126
    • SCHEMBL102125
    • SCHEMBL270514
    • SCHEMBL304953
    • SCHEMBL304954
    • SCHEMBL341713
    • SCHEMBL2121293
    • SCHEMBL2497877
    • SCHEMBL2881813
    • SCHEMBL6025089
    • SCHEMBL6401130
    • SCHEMBL6401134
    • SCHEMBL6637371
    • SCHEMBL8729548
    • SCHEMBL9091561
    • SCHEMBL10633758
    • SCHEMBL10882473
    • DB-042863
    • H0043
    • NS00034124
    • 592-77-8

  • Applications

    2-Heptene (CAS 592-77-8) is an internal olefin used as an industrial building block and synthesis intermediate; in hydroformylation it can be converted to higher aldehydes that serve as fragrance and flavor precursors, and the products derived from its hydrogenation or oxidation can provide alcohols, ketones and esters for cosmetics, coatings and plastics manufacturing; as a reactive feedstock it supports polymer and plastics chemistry by forming functionalized monomers or intermediates; it can be processed into alcohols and esters for use in fragrance formulations or as solvents/processing aids in coatings, inks and cleaning formulations; applications span fragrance, flavor, cosmetics/personal care, coatings/inks and polymers/plastics, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1474.67
    methanol 586.94
    isopropanol 1542.29
    water 0.03
    ethyl acetate 1535.62
    n-propanol 1427.24
    acetone 1332.55
    n-butanol 2041.42
    acetonitrile 841.14
    DMF 653.64
    toluene 1230.4
    isobutanol 1135.9
    1,4-dioxane 2525.11
    methyl acetate 867.11
    THF 4774.38
    2-butanone 1392.47
    n-pentanol 1214.85
    sec-butanol 1686.73
    n-hexane 2828.35
    ethylene glycol 77.6
    NMP 625.27
    cyclohexane 3601.15
    DMSO 1225.09
    n-butyl acetate 4158.09
    n-octanol 1092.48
    chloroform 3116.58
    n-propyl acetate 1077.57
    acetic acid 493.6
    dichloromethane 2675.67
    cyclohexanone 1996.99
    propylene glycol 195.23
    isopropyl acetate 967.81
    DMAc 444.12
    2-ethoxyethanol 693.58
    isopentanol 1652.09
    n-heptane 6043.71
    ethyl formate 598.26
    1,2-dichloroethane 1828.87
    n-hexanol 4029.53
    2-methoxyethanol 939.79
    isobutyl acetate 665.2
    tetrachloromethane 903.71
    n-pentyl acetate 1157.92
    transcutol 2486.24
    n-heptanol 1138.63
    ethylbenzene 640.2
    MIBK 942.27
    2-propoxyethanol 2187.68
    tert-butanol 2074.28
    MTBE 2360.74
    2-butoxyethanol 907.44
    propionic acid 545.71
    o-xylene 552.78
    formic acid 42.07
    diethyl ether 3337.54
    m-xylene 695.24
    p-xylene 658.5
    chlorobenzene 951.9
    dimethyl carbonate 147.73
    n-octane 1012.43
    formamide 66.11
    cyclopentanone 1682.51
    2-pentanone 1618.74
    anisole 659.6
    cyclopentyl methyl ether 2396.32
    gamma-butyrolactone 1227.69
    1-methoxy-2-propanol 992.5
    pyridine 1862.68
    3-pentanone 927.53
    furfural 765.07
    n-dodecane 407.32
    diethylene glycol 559.07
    diisopropyl ether 1052.31
    tert-amyl alcohol 1673.07
    acetylacetone 836.66
    n-hexadecane 457.44
    acetophenone 416.32
    methyl propionate 726.85
    isopentyl acetate 2675.75
    trichloroethylene 2057.02
    n-nonanol 927.52
    cyclohexanol 1790.6
    benzyl alcohol 396.34
    2-ethylhexanol 3401.11
    isooctanol 863.67
    dipropyl ether 5469.84
    1,2-dichlorobenzene 652.3
    ethyl lactate 223.08
    propylene carbonate 783.58
    n-methylformamide 268.77
    2-pentanol 1744.6
    n-pentane 2441.7
    1-propoxy-2-propanol 2565.39
    1-methoxy-2-propyl acetate 1325.18
    2-(2-methoxypropoxy) propanol 581.12
    mesitylene 448.66
    ε-caprolactone 1550.1
    p-cymene 941.17
    epichlorohydrin 1877.11
    1,1,1-trichloroethane 2078.6
    2-aminoethanol 238.07
    morpholine-4-carbaldehyde 775.78
    sulfolane 1162.6
    2,2,4-trimethylpentane 548.88
    2-methyltetrahydrofuran 4261.8
    n-hexyl acetate 1411.52
    isooctane 571.23
    2-(2-butoxyethoxy)ethanol 920.53
    sec-butyl acetate 678.41
    tert-butyl acetate 960.69
    decalin 721.0
    glycerin 167.27
    diglyme 1738.97
    acrylic acid 272.7
    isopropyl myristate 591.46
    n-butyric acid 1421.04
    acetyl acetate 537.91
    di(2-ethylhexyl) phthalate 306.68
    ethyl propionate 781.03
    nitromethane 525.48
    1,2-diethoxyethane 2650.95
    benzonitrile 700.01
    trioctyl phosphate 303.72
    1-bromopropane 3471.33
    gamma-valerolactone 1370.68
    n-decanol 675.58
    triethyl phosphate 456.19
    4-methyl-2-pentanol 848.53
    propionitrile 1129.49
    vinylene carbonate 516.48
    1,1,2-trichlorotrifluoroethane 658.42
    DMS 377.97
    cumene 382.22
    2-octanol 819.58
    2-hexanone 1303.87
    octyl acetate 678.1
    limonene 2071.5
    1,2-dimethoxyethane 1824.08
    ethyl orthosilicate 562.27
    tributyl phosphate 391.21
    diacetone alcohol 767.51
    N,N-dimethylaniline 408.37
    acrylonitrile 734.97
    aniline 791.17
    1,3-propanediol 506.35
    bromobenzene 1244.61
    dibromomethane 2982.73
    1,1,2,2-tetrachloroethane 1780.89
    2-methyl-cyclohexyl acetate 1045.67
    tetrabutyl urea 484.88
    diisobutyl methanol 1449.74
    2-phenylethanol 869.31
    styrene 775.47
    dioctyl adipate 601.47
    dimethyl sulfate 168.73
    ethyl butyrate 2268.07
    methyl lactate 185.4
    butyl lactate 516.31
    diethyl carbonate 935.61
    propanediol butyl ether 500.11
    triethyl orthoformate 1352.94
    p-tert-butyltoluene 868.56
    methyl 4-tert-butylbenzoate 425.01
    morpholine 2964.53
    tert-butylamine 2115.71
    n-dodecanol 555.94
    dimethoxymethane 831.49
    ethylene carbonate 556.21
    cyrene 285.73
    2-ethoxyethyl acetate 876.9
    2-ethylhexyl acetate 2342.58
    1,2,4-trichlorobenzene 619.66
    4-methylpyridine 1666.95
    dibutyl ether 3096.51
    2,6-dimethyl-4-heptanol 1449.74
    DEF 1130.01
    dimethyl isosorbide 936.01
    tetrachloroethylene 1170.54
    eugenol 368.98
    triacetin 509.71
    span 80 796.28
    1,4-butanediol 175.19
    1,1-dichloroethane 2120.2
    2-methyl-1-pentanol 993.69
    methyl formate 182.12
    2-methyl-1-butanol 1399.4
    n-decane 813.53
    butyronitrile 2081.63
    3,7-dimethyl-1-octanol 1156.08
    1-chlorooctane 1274.94
    1-chlorotetradecane 455.04
    n-nonane 1048.23
    undecane 545.17
    tert-butylcyclohexane 670.28
    cyclooctane 1295.14
    cyclopentanol 1465.79
    tetrahydropyran 5237.95
    tert-amyl methyl ether 1578.74
    2,5,8-trioxanonane 954.39
    1-hexene 3922.12
    2-isopropoxyethanol 599.34
    2,2,2-trifluoroethanol 64.66
    methyl butyrate 1091.62

    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