4-Methyl-1,3-pentadiene

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  • Identifiers

    CAS number
    926-56-7

    Molecular formula
    C6H10

    SMILES
    CC(=CC=C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 57.9%
    Green 50.01%
    Citrus 43.43%
    Gassy 42.91%
    Terpenic 41.47%
    Fresh 40.29%
    Sweet 39.96%
    Fruity 37.09%
    Floral 36.34%
    Lemon 35.6%

     

    Flavor
    Citrus 59.18%
    Sweet 58.35%
    Green 51.42%
    Herbal 41.28%
    Spicy 37.23%
    Woody 35.26%
    Terpene 32.51%
    Nutty 32.19%
    Herb 32.05%
    Lemon 28.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    10.04 (weak base)

    Molecular weight
    82.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    78°C

    Flash point

    • -24.99 ˚C est.
    • -30 °F (NFPA, 2010)

  • Synonyms

    • 4-METHYL-1,3-PENTADIENE
    • 926-56-7
    • 4-Methylpenta-1,3-diene
    • 1,3-Pentadiene, 4-methyl-
    • Methylpentadiene
    • (CH3)2C=CHCH=CH2
    • 2-methyl-2,4-pentadiene
    • N4L3O7UJM9
    • DTXSID5061291
    • Pentadiene, methyl-
    • EINECS 213-137-8
    • UNII-N4L3O7UJM9
    • 1,1-DIMETHYLBUTADIENE
    • DTXCID9048803
    • 4-Methyl-1,3-pentadiene - mixture
    • MFCD00042861
    • 1,1-DIMETHYL-1,3-BUTADIENE
    • AKOS015913481
    • FM168132
    • NS00039478
    • EN300-7156961
    • 51064-12-1

  • Applications

    4-Methyl-1,3-pentadiene (CAS 926-56-7) is a conjugated diene used as an organic synthesis intermediate; it is commonly evaluated as a precursor to fragrance and flavor compounds, often via Diels–Alder or related routes to access cyclic structures; it can serve as a dienic monomer for specialty polymers and plastics, enabling conjugated polyene backbones; it may be used as a reactive monomer or diluent in coatings and inks, including UV-curable systems; it can act as a building block in adhesives and polymer networks; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 413.17
    methanol 338.21
    isopropanol 322.82
    water 0.43
    ethyl acetate 473.34
    n-propanol 369.45
    acetone 385.77
    n-butanol 535.76
    acetonitrile 230.36
    DMF 237.96
    toluene 341.44
    isobutanol 301.43
    1,4-dioxane 667.43
    methyl acetate 332.01
    THF 1224.18
    2-butanone 428.72
    n-pentanol 347.25
    sec-butanol 418.44
    n-hexane 906.25
    ethylene glycol 52.13
    NMP 464.87
    cyclohexane 747.99
    DMSO 209.54
    n-butyl acetate 900.54
    n-octanol 369.09
    chloroform 645.65
    n-propyl acetate 290.5
    acetic acid 255.01
    dichloromethane 473.49
    cyclohexanone 660.59
    propylene glycol 98.45
    isopropyl acetate 330.77
    DMAc 282.14
    2-ethoxyethanol 262.35
    isopentanol 435.04
    n-heptane 1176.89
    ethyl formate 180.8
    1,2-dichloroethane 317.26
    n-hexanol 1027.37
    2-methoxyethanol 361.66
    isobutyl acetate 228.34
    tetrachloromethane 255.08
    n-pentyl acetate 334.82
    transcutol 779.76
    n-heptanol 370.48
    ethylbenzene 185.81
    MIBK 305.6
    2-propoxyethanol 730.82
    tert-butanol 483.07
    MTBE 676.06
    2-butoxyethanol 332.25
    propionic acid 230.22
    o-xylene 223.91
    formic acid 55.1
    diethyl ether 879.08
    m-xylene 251.92
    p-xylene 220.26
    chlorobenzene 259.22
    dimethyl carbonate 90.13
    n-octane 264.92
    formamide 52.24
    cyclopentanone 555.12
    2-pentanone 477.39
    anisole 250.78
    cyclopentyl methyl ether 840.11
    gamma-butyrolactone 442.62
    1-methoxy-2-propanol 331.93
    pyridine 359.79
    3-pentanone 386.34
    furfural 301.9
    n-dodecane 131.18
    diethylene glycol 264.62
    diisopropyl ether 410.02
    tert-amyl alcohol 518.79
    acetylacetone 304.51
    n-hexadecane 142.3
    acetophenone 185.76
    methyl propionate 298.79
    isopentyl acetate 677.04
    trichloroethylene 434.22
    n-nonanol 341.61
    cyclohexanol 587.27
    benzyl alcohol 147.69
    2-ethylhexanol 886.36
    isooctanol 290.84
    dipropyl ether 1215.89
    1,2-dichlorobenzene 219.73
    ethyl lactate 114.52
    propylene carbonate 308.64
    n-methylformamide 121.96
    2-pentanol 458.03
    n-pentane 651.35
    1-propoxy-2-propanol 755.25
    1-methoxy-2-propyl acetate 480.56
    2-(2-methoxypropoxy) propanol 331.69
    mesitylene 180.56
    ε-caprolactone 532.03
    p-cymene 265.74
    epichlorohydrin 441.66
    1,1,1-trichloroethane 470.91
    2-aminoethanol 127.79
    morpholine-4-carbaldehyde 384.04
    sulfolane 433.98
    2,2,4-trimethylpentane 241.82
    2-methyltetrahydrofuran 1152.41
    n-hexyl acetate 509.32
    isooctane 187.24
    2-(2-butoxyethoxy)ethanol 419.24
    sec-butyl acetate 240.58
    tert-butyl acetate 399.82
    decalin 254.84
    glycerin 104.58
    diglyme 576.52
    acrylic acid 145.94
    isopropyl myristate 262.12
    n-butyric acid 411.64
    acetyl acetate 244.38
    di(2-ethylhexyl) phthalate 164.83
    ethyl propionate 273.11
    nitromethane 227.59
    1,2-diethoxyethane 640.4
    benzonitrile 191.86
    trioctyl phosphate 150.67
    1-bromopropane 551.06
    gamma-valerolactone 509.03
    n-decanol 264.69
    triethyl phosphate 189.04
    4-methyl-2-pentanol 274.35
    propionitrile 279.54
    vinylene carbonate 204.1
    1,1,2-trichlorotrifluoroethane 272.86
    DMS 202.54
    cumene 145.62
    2-octanol 269.07
    2-hexanone 380.85
    octyl acetate 314.95
    limonene 578.46
    1,2-dimethoxyethane 480.47
    ethyl orthosilicate 220.67
    tributyl phosphate 187.63
    diacetone alcohol 350.81
    N,N-dimethylaniline 189.94
    acrylonitrile 192.14
    aniline 238.35
    1,3-propanediol 188.86
    bromobenzene 282.99
    dibromomethane 484.33
    1,1,2,2-tetrachloroethane 417.53
    2-methyl-cyclohexyl acetate 412.11
    tetrabutyl urea 226.91
    diisobutyl methanol 427.05
    2-phenylethanol 304.25
    styrene 201.48
    dioctyl adipate 248.05
    dimethyl sulfate 100.01
    ethyl butyrate 514.12
    methyl lactate 114.12
    butyl lactate 202.33
    diethyl carbonate 261.24
    propanediol butyl ether 236.93
    triethyl orthoformate 396.44
    p-tert-butyltoluene 265.08
    methyl 4-tert-butylbenzoate 259.66
    morpholine 706.66
    tert-butylamine 450.34
    n-dodecanol 219.82
    dimethoxymethane 290.61
    ethylene carbonate 207.7
    cyrene 191.22
    2-ethoxyethyl acetate 302.64
    2-ethylhexyl acetate 655.65
    1,2,4-trichlorobenzene 236.91
    4-methylpyridine 383.9
    dibutyl ether 699.89
    2,6-dimethyl-4-heptanol 427.05
    DEF 408.62
    dimethyl isosorbide 481.9
    tetrachloroethylene 304.03
    eugenol 204.65
    triacetin 279.5
    span 80 359.61
    1,4-butanediol 80.76
    1,1-dichloroethane 412.37
    2-methyl-1-pentanol 335.29
    methyl formate 94.1
    2-methyl-1-butanol 456.27
    n-decane 235.77
    butyronitrile 408.13
    3,7-dimethyl-1-octanol 413.2
    1-chlorooctane 379.11
    1-chlorotetradecane 171.78
    n-nonane 279.91
    undecane 166.13
    tert-butylcyclohexane 270.87
    cyclooctane 384.83
    cyclopentanol 430.24
    tetrahydropyran 1130.57
    tert-amyl methyl ether 638.72
    2,5,8-trioxanonane 420.43
    1-hexene 906.77
    2-isopropoxyethanol 237.76
    2,2,2-trifluoroethanol 67.29
    methyl butyrate 316.57

    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