1,5-Heptadiene

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  • Identifiers

    CAS number
    1541-23-7

    Molecular formula
    C7H12

    SMILES
    CC=CCCC=C

    Safety labels

    Flammable
    Flammable

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Green 56.0%
    Gassy 54.01%
    Herbal 43.07%
    Citrus 42.96%
    Fresh 31.25%
    Vegetable 26.37%
    Leafy 25.22%
    Fruity 25.02%
    Fishy 22.43%
    Terpenic 21.95%

     

    Flavor
    Citrus 25.7%
    Pumpkin 20.28%
    Oriental 20.08%
    Biscuit 19.88%
    Honeydew 19.0%
    Low 18.87%
    Tar 18.82%
    Dewy 18.65%
    Diterpene 18.65%
    Nitrile 18.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.42 (weak base)

    Molecular weight
    96.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    92°C

    Flash point

    • -2.28 ˚C est.

  • Synonyms

    • PM5ZF97YDL
    • NSC-93796
    • RefChem:73510
    • 1,5-Heptadiene
    • 1541-23-7
    • hepta-1,5-diene
    • 1-METHYLDIALLYL
    • SCHEMBL124128
    • SCHEMBL145325
    • SCHEMBL145434
    • SCHEMBL147005
    • SCHEMBL148718
    • SCHEMBL1114063
    • SCHEMBL4328930
    • SCHEMBL4538167
    • SCHEMBL10665864
    • SCHEMBL29262801
    • DTXSID00998579
    • H0551
    • 1541-23-7

  • Applications

    1,5-Heptadiene (CAS 1541-23-7) is primarily used as a reactive monomer and chemical intermediate in the production of specialty polymers and elastomers, where its two terminal vinyl groups enable copolymerization with other olefins to tailor properties such as flexibility and processability. It also serves as a crosslinking agent or reactive diluent in coatings and ink formulations, supporting network formation and viscosity control in UV- and thermally cured systems. In adhesive formulations, it is used to modify polymer networks, helping to balance strength and elasticity. More broadly, it acts as a building block for the synthesis of complex intermediates and performance additives in industrial manufacturing, with use limited by formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 487.35
    methanol 185.24
    isopropanol 449.01
    water 0.03
    ethyl acetate 551.71
    n-propanol 455.61
    acetone 413.98
    n-butanol 621.35
    acetonitrile 270.4
    DMF 244.6
    toluene 406.08
    isobutanol 336.52
    1,4-dioxane 892.96
    methyl acetate 328.11
    THF 1706.54
    2-butanone 493.55
    n-pentanol 387.93
    sec-butanol 495.72
    n-hexane 832.53
    ethylene glycol 30.95
    NMP 276.44
    cyclohexane 1084.68
    DMSO 467.85
    n-butyl acetate 1436.42
    n-octanol 339.19
    chloroform 1064.44
    n-propyl acetate 385.05
    acetic acid 184.29
    dichloromethane 960.55
    cyclohexanone 706.11
    propylene glycol 71.87
    isopropyl acetate 318.45
    DMAc 187.0
    2-ethoxyethanol 241.82
    isopentanol 494.58
    n-heptane 1801.81
    ethyl formate 202.78
    1,2-dichloroethane 624.38
    n-hexanol 1281.45
    2-methoxyethanol 322.01
    isobutyl acetate 239.78
    tetrachloromethane 287.72
    n-pentyl acetate 371.48
    transcutol 977.79
    n-heptanol 346.42
    ethylbenzene 221.39
    MIBK 316.5
    2-propoxyethanol 763.61
    tert-butanol 595.23
    MTBE 661.67
    2-butoxyethanol 300.29
    propionic acid 199.09
    o-xylene 200.5
    formic acid 17.55
    diethyl ether 1076.44
    m-xylene 241.87
    p-xylene 231.24
    chlorobenzene 339.71
    dimethyl carbonate 63.64
    n-octane 301.08
    formamide 27.06
    cyclopentanone 636.86
    2-pentanone 543.09
    anisole 253.71
    cyclopentyl methyl ether 858.33
    gamma-butyrolactone 495.23
    1-methoxy-2-propanol 345.68
    pyridine 651.51
    3-pentanone 352.46
    furfural 315.47
    n-dodecane 125.13
    diethylene glycol 217.89
    diisopropyl ether 330.8
    tert-amyl alcohol 486.07
    acetylacetone 309.15
    n-hexadecane 141.1
    acetophenone 172.94
    methyl propionate 274.3
    isopentyl acetate 878.56
    trichloroethylene 721.57
    n-nonanol 300.57
    cyclohexanol 568.71
    benzyl alcohol 149.85
    2-ethylhexanol 1042.12
    isooctanol 265.21
    dipropyl ether 1913.21
    1,2-dichlorobenzene 240.82
    ethyl lactate 98.91
    propylene carbonate 324.93
    n-methylformamide 96.13
    2-pentanol 513.11
    n-pentane 709.09
    1-propoxy-2-propanol 864.03
    1-methoxy-2-propyl acetate 511.09
    2-(2-methoxypropoxy) propanol 259.78
    mesitylene 160.9
    ε-caprolactone 566.46
    p-cymene 325.32
    epichlorohydrin 680.86
    1,1,1-trichloroethane 657.59
    2-aminoethanol 84.16
    morpholine-4-carbaldehyde 304.4
    sulfolane 484.05
    2,2,4-trimethylpentane 161.78
    2-methyltetrahydrofuran 1525.16
    n-hexyl acetate 473.08
    isooctane 164.18
    2-(2-butoxyethoxy)ethanol 366.28
    sec-butyl acetate 247.62
    tert-butyl acetate 325.6
    decalin 233.34
    glycerin 69.45
    diglyme 652.61
    acrylic acid 106.82
    isopropyl myristate 222.3
    n-butyric acid 467.46
    acetyl acetate 210.25
    di(2-ethylhexyl) phthalate 130.34
    ethyl propionate 296.73
    nitromethane 208.52
    1,2-diethoxyethane 940.48
    benzonitrile 244.31
    trioctyl phosphate 118.01
    1-bromopropane 1134.99
    gamma-valerolactone 523.06
    n-decanol 230.48
    triethyl phosphate 193.15
    4-methyl-2-pentanol 262.28
    propionitrile 354.78
    vinylene carbonate 207.83
    1,1,2-trichlorotrifluoroethane 246.84
    DMS 169.12
    cumene 141.4
    2-octanol 241.51
    2-hexanone 444.41
    octyl acetate 250.37
    limonene 690.18
    1,2-dimethoxyethane 630.96
    ethyl orthosilicate 222.94
    tributyl phosphate 151.97
    diacetone alcohol 281.1
    N,N-dimethylaniline 159.74
    acrylonitrile 237.24
    aniline 262.93
    1,3-propanediol 169.1
    bromobenzene 419.97
    dibromomethane 1037.89
    1,1,2,2-tetrachloroethane 606.92
    2-methyl-cyclohexyl acetate 398.96
    tetrabutyl urea 201.44
    diisobutyl methanol 465.68
    2-phenylethanol 315.69
    styrene 267.9
    dioctyl adipate 242.75
    dimethyl sulfate 81.85
    ethyl butyrate 842.19
    methyl lactate 80.42
    butyl lactate 190.42
    diethyl carbonate 368.45
    propanediol butyl ether 187.99
    triethyl orthoformate 500.38
    p-tert-butyltoluene 301.43
    methyl 4-tert-butylbenzoate 182.37
    morpholine 1013.18
    tert-butylamine 568.92
    n-dodecanol 193.81
    dimethoxymethane 304.65
    ethylene carbonate 213.07
    cyrene 139.72
    2-ethoxyethyl acetate 317.64
    2-ethylhexyl acetate 791.56
    1,2,4-trichlorobenzene 237.49
    4-methylpyridine 555.14
    dibutyl ether 972.98
    2,6-dimethyl-4-heptanol 465.68
    DEF 400.0
    dimethyl isosorbide 433.02
    tetrachloroethylene 400.1
    eugenol 162.38
    triacetin 218.93
    span 80 315.35
    1,4-butanediol 58.25
    1,1-dichloroethane 702.06
    2-methyl-1-pentanol 325.16
    methyl formate 68.94
    2-methyl-1-butanol 432.37
    n-decane 247.57
    butyronitrile 616.53
    3,7-dimethyl-1-octanol 372.9
    1-chlorooctane 405.16
    1-chlorotetradecane 157.64
    n-nonane 307.55
    undecane 166.58
    tert-butylcyclohexane 209.25
    cyclooctane 394.81
    cyclopentanol 492.98
    tetrahydropyran 1757.45
    tert-amyl methyl ether 494.57
    2,5,8-trioxanonane 417.56
    1-hexene 1198.17
    2-isopropoxyethanol 204.61
    2,2,2-trifluoroethanol 27.32
    methyl butyrate 393.97

    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