1-Heptene

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  • Identifiers

    CAS number
    592-76-7

    Molecular formula
    C7H14

    SMILES
    CCCCCC=C

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Gassy 61.67%
    Citrus 37.28%
    Herbal 28.7%
    Fresh 26.45%
    Sweet 24.39%
    Green 23.51%
    Fishy 20.74%
    Ethereal 20.45%
    Fruity 19.59%
    Lemon 19.44%

     

    Flavor
    Citrus 41.08%
    Aldehydic 28.48%
    Waxy 25.44%
    Fresh 25.37%
    Fatty 24.85%
    Fishy 23.23%
    Orange 22.02%
    Grapefruit peel 21.16%
    Dewy 21.12%
    Alkane 20.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.48 (weak base)

    Molecular weight
    98.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -182 °F (USCG, 1999)
    • -119.7 °C

    Boiling point

    • 200.5 °F at 760 mmHg (USCG, 1999)
    • 93.6 °C

    Flash point

    • -5.35 ˚C est.
    • 25 °F (USCG, 1999)
    • LESS THAN 32 °F (CLOSED CUP)

    Solubility expt.

    • Soluble in ethanol and ether; slightly soluble in carbon tetrachloride
    • In water, 18.2 mg/l @ 25 °C

  • Synonyms

    • 1-HEPTENE
    • Hept-1-ene
    • 592-76-7
    • HEPTENE
    • n-Hept-1-ene
    • 1-n-Heptene
    • Heptylene
    • n-Heptene
    • NSC 74130
    • HSDB 1078
    • EINECS 209-767-8
    • .alpha.-Heptylene
    • UN2278
    • UNII-O748KJ11V7
    • O748KJ11V7
    • EINECS 246-871-2
    • NSC-74130
    • 1-HEPTENE [HSDB]
    • 1-C7H14
    • DTXSID2060466
    • 25339-56-4(n-Heptene)592-76-7(1-Heptene)
    • 1-Heptene, analytical standard
    • MFCD00009531
    • Heptenes
    • nHeptene
    • alpha-heptylene
    • 1nHeptene
    • nHept1ene
    • Heptene, Isomers
    • MIXED HEPTENES
    • 1-Heptene, 97%
    • 1-Heptene, >=99%
    • 2(OR 3)-HEPTENE
    • MIXED HEPTENE ISOMERS
    • DTXCID6042573
    • DTXSID9027865
    • CHEBI:186747
    • NSC74130
    • STR07011
    • EINECS 271-209-4
    • LMFA11000319
    • AKOS009031489
    • DB-053357
    • DB-220759
    • n-Heptene [UN2278] [Flammable liquid]
    • H0042
    • NS00079956
    • S0337
    • EN300-19737
    • D90784
    • doi:10.14272/ZGEGCLOFRBLKSE-UHFFFAOYSA-N.1
    • Q15687131
    • 25339-56-4(n-Heptene); 592-76-7(1-Heptene)
    • 246-871-2
    • 81624-04-6

  • Applications

    1-Heptene (CAS 592-76-7) is an alpha-olefin with seven carbon atoms that is used primarily as an industrial intermediate and as a comonomer in polyolefin production to tailor polymer properties. It also serves as a precursor in the synthesis of specialty polymers and resins, and can be converted into materials for lubricants, plasticizers, and related performance additives. In addition, 1-Heptene (CAS 592-76-7) can act as a building block for surfactants and as a reactive feedstock for coatings and inks, enabling the formulation of specialty surface-active agents and resinous components. Depending on formulation and local regulations, its use is governed by applicable rules and process limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1274.46
    methanol 542.35
    isopropanol 1261.97
    water 0.03
    ethyl acetate 1212.36
    n-propanol 1237.3
    acetone 1093.28
    n-butanol 1722.54
    acetonitrile 635.61
    DMF 553.0
    toluene 764.21
    isobutanol 954.29
    1,4-dioxane 1863.22
    methyl acetate 697.84
    THF 4005.7
    2-butanone 1156.88
    n-pentanol 1015.57
    sec-butanol 1342.27
    n-hexane 1836.64
    ethylene glycol 65.06
    NMP 521.72
    cyclohexane 2270.54
    DMSO 1043.73
    n-butyl acetate 3578.49
    n-octanol 776.14
    chloroform 2208.92
    n-propyl acetate 911.46
    acetic acid 433.57
    dichloromethane 2006.01
    cyclohexanone 1658.74
    propylene glycol 158.65
    isopropyl acetate 735.74
    DMAc 340.22
    2-ethoxyethanol 586.04
    isopentanol 1411.0
    n-heptane 4220.06
    ethyl formate 523.36
    1,2-dichloroethane 1351.59
    n-hexanol 3442.44
    2-methoxyethanol 856.75
    isobutyl acetate 539.88
    tetrachloromethane 588.01
    n-pentyl acetate 891.39
    transcutol 2098.87
    n-heptanol 867.22
    ethylbenzene 411.34
    MIBK 763.62
    2-propoxyethanol 1942.18
    tert-butanol 1701.67
    MTBE 1738.27
    2-butoxyethanol 747.2
    propionic acid 451.8
    o-xylene 360.61
    formic acid 38.61
    diethyl ether 2422.33
    m-xylene 467.91
    p-xylene 443.35
    chlorobenzene 636.14
    dimethyl carbonate 115.6
    n-octane 644.31
    formamide 58.46
    cyclopentanone 1399.45
    2-pentanone 1336.1
    anisole 463.63
    cyclopentyl methyl ether 1773.7
    gamma-butyrolactone 1066.99
    1-methoxy-2-propanol 873.4
    pyridine 1388.55
    3-pentanone 722.54
    furfural 641.3
    n-dodecane 252.63
    diethylene glycol 518.03
    diisopropyl ether 782.5
    tert-amyl alcohol 1281.02
    acetylacetone 693.19
    n-hexadecane 284.11
    acetophenone 307.0
    methyl propionate 556.23
    isopentyl acetate 2280.27
    trichloroethylene 1522.62
    n-nonanol 675.74
    cyclohexanol 1385.26
    benzyl alcohol 289.7
    2-ethylhexanol 2709.07
    isooctanol 651.98
    dipropyl ether 4458.5
    1,2-dichlorobenzene 444.52
    ethyl lactate 185.64
    propylene carbonate 673.47
    n-methylformamide 241.52
    2-pentanol 1365.83
    n-pentane 1588.92
    1-propoxy-2-propanol 2245.98
    1-methoxy-2-propyl acetate 1163.84
    2-(2-methoxypropoxy) propanol 467.13
    mesitylene 304.34
    ε-caprolactone 1287.91
    p-cymene 682.33
    epichlorohydrin 1489.22
    1,1,1-trichloroethane 1348.87
    2-aminoethanol 206.14
    morpholine-4-carbaldehyde 623.86
    sulfolane 957.7
    2,2,4-trimethylpentane 360.46
    2-methyltetrahydrofuran 3306.42
    n-hexyl acetate 1085.58
    isooctane 390.17
    2-(2-butoxyethoxy)ethanol 746.2
    sec-butyl acetate 536.88
    tert-butyl acetate 752.84
    decalin 470.49
    glycerin 148.53
    diglyme 1405.76
    acrylic acid 221.55
    isopropyl myristate 447.1
    n-butyric acid 1263.35
    acetyl acetate 420.59
    di(2-ethylhexyl) phthalate 230.95
    ethyl propionate 627.05
    nitromethane 487.62
    1,2-diethoxyethane 2165.67
    benzonitrile 512.07
    trioctyl phosphate 236.26
    1-bromopropane 2393.51
    gamma-valerolactone 1232.91
    n-decanol 499.85
    triethyl phosphate 367.43
    4-methyl-2-pentanol 701.74
    propionitrile 847.55
    vinylene carbonate 420.08
    1,1,2-trichlorotrifluoroethane 510.49
    DMS 304.66
    cumene 259.15
    2-octanol 591.13
    2-hexanone 1044.28
    octyl acetate 511.14
    limonene 1531.15
    1,2-dimethoxyethane 1533.53
    ethyl orthosilicate 449.52
    tributyl phosphate 301.87
    diacetone alcohol 631.37
    N,N-dimethylaniline 276.95
    acrylonitrile 555.38
    aniline 548.58
    1,3-propanediol 447.7
    bromobenzene 801.07
    dibromomethane 2150.79
    1,1,2,2-tetrachloroethane 1271.17
    2-methyl-cyclohexyl acetate 855.92
    tetrabutyl urea 382.54
    diisobutyl methanol 1166.49
    2-phenylethanol 682.74
    styrene 497.05
    dioctyl adipate 454.13
    dimethyl sulfate 132.85
    ethyl butyrate 1962.19
    methyl lactate 153.5
    butyl lactate 441.49
    diethyl carbonate 784.61
    propanediol butyl ether 423.69
    triethyl orthoformate 1108.38
    p-tert-butyltoluene 638.53
    methyl 4-tert-butylbenzoate 306.82
    morpholine 2288.19
    tert-butylamine 1652.74
    n-dodecanol 399.91
    dimethoxymethane 664.19
    ethylene carbonate 453.77
    cyrene 226.61
    2-ethoxyethyl acetate 697.97
    2-ethylhexyl acetate 1949.52
    1,2,4-trichlorobenzene 420.67
    4-methylpyridine 1213.75
    dibutyl ether 2254.57
    2,6-dimethyl-4-heptanol 1166.49
    DEF 867.77
    dimethyl isosorbide 769.25
    tetrachloroethylene 860.95
    eugenol 282.54
    triacetin 400.8
    span 80 617.5
    1,4-butanediol 147.66
    1,1-dichloroethane 1547.78
    2-methyl-1-pentanol 821.13
    methyl formate 162.07
    2-methyl-1-butanol 1161.36
    n-decane 519.92
    butyronitrile 1632.0
    3,7-dimethyl-1-octanol 861.67
    1-chlorooctane 848.05
    1-chlorotetradecane 297.11
    n-nonane 653.81
    undecane 343.29
    tert-butylcyclohexane 445.02
    cyclooctane 817.09
    cyclopentanol 1199.74
    tetrahydropyran 4028.66
    tert-amyl methyl ether 1116.95
    2,5,8-trioxanonane 765.68
    1-hexene 2725.92
    2-isopropoxyethanol 468.18
    2,2,2-trifluoroethanol 54.67
    methyl butyrate 906.09

    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