2-Methyl-1,4-pentadiene

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  • Identifiers

    CAS number
    763-30-4

    Molecular formula
    C6H10

    SMILES
    CC(=C)CC=C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Herbal 51.3%
    Gassy 43.44%
    Citrus 37.69%
    Fruity 35.14%
    Green 34.05%
    Fresh 31.13%
    Terpenic 30.82%
    Pungent 30.12%
    Mint 28.94%
    Spicy 28.9%

     

    Flavor
    Herbal 28.93%
    Citrus 27.9%
    Spicy 26.75%
    Green 22.35%
    Woody 22.1%
    Oriental 22.08%
    Ocimene 22.05%
    Sweet 21.95%
    Mouldy 21.61%
    Styrene 21.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.28 (weak base)

    Molecular weight
    82.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    59°C

    Flash point

    • -27.96 ˚C est.

  • Synonyms

    • 2-METHYL-1,4-PENTADIENE
    • 763-30-4
    • 2-Methylpenta-1,4-diene
    • 1,4-Pentadiene, 2-methyl-
    • BRN 1697214
    • TG8TS4U1ST
    • EINECS 212-109-2
    • DTXSID80227172
    • 4-01-00-01020 (Beilstein Handbook Reference)
    • RefChem:474805
    • DTXCID80149663
    • InChI=1/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H
    • MFCD00008601
    • UNII-TG8TS4U1ST
    • SCHEMBL135896
    • SCHEMBL540185
    • SCHEMBL834141
    • SCHEMBL834515
    • SCHEMBL834863
    • SCHEMBL836144
    • 2-Methyl-1,4-pentadiene, 99%
    • AKOS015912615
    • M0616
    • NS00037774
    • T72918
    • 763-30-4

  • Applications

    2-Methyl-1,4-pentadiene (CAS number: 763-30-4) is primarily used as an organic synthesis intermediate, providing a diene fragment for the preparation of specialty chemicals and various derivatives. It may serve as a building block for specialty polymers and resins in industrial manufacturing. In the fragrance and flavor sectors, it can be evaluated as a fragrance intermediate or a precursor to aroma compounds. It is also of interest in research and development as a reagent for cycloaddition or other transformations to access cyclic or functionalized products. Overall, its applications are mainly as an intermediate or starting material, with use depending on formulation needs and local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1068.17
    methanol 945.0
    isopropanol 772.2
    water 1.06
    ethyl acetate 704.42
    n-propanol 889.96
    acetone 668.48
    n-butanol 1098.48
    acetonitrile 404.69
    DMF 385.51
    toluene 364.04
    isobutanol 630.22
    1,4-dioxane 1045.98
    methyl acetate 512.22
    THF 1793.47
    2-butanone 684.38
    n-pentanol 713.99
    sec-butanol 854.74
    n-hexane 1011.27
    ethylene glycol 136.14
    NMP 551.67
    cyclohexane 829.76
    DMSO 367.37
    n-butyl acetate 1339.61
    n-octanol 568.4
    chloroform 755.11
    n-propyl acetate 443.06
    acetic acid 534.63
    dichloromethane 565.81
    cyclohexanone 876.04
    propylene glycol 240.05
    isopropyl acetate 457.99
    DMAc 380.14
    2-ethoxyethanol 530.59
    isopentanol 807.1
    n-heptane 1369.55
    ethyl formate 294.16
    1,2-dichloroethane 380.2
    n-hexanol 1835.33
    2-methoxyethanol 740.25
    isobutyl acetate 316.82
    tetrachloromethane 290.75
    n-pentyl acetate 426.28
    transcutol 1396.14
    n-heptanol 590.46
    ethylbenzene 188.24
    MIBK 424.97
    2-propoxyethanol 1321.84
    tert-butanol 934.8
    MTBE 1032.2
    2-butoxyethanol 562.3
    propionic acid 453.72
    o-xylene 231.54
    formic acid 136.83
    diethyl ether 1340.97
    m-xylene 262.89
    p-xylene 222.58
    chlorobenzene 273.45
    dimethyl carbonate 112.39
    n-octane 294.78
    formamide 109.8
    cyclopentanone 725.3
    2-pentanone 722.05
    anisole 283.61
    cyclopentyl methyl ether 1067.66
    gamma-butyrolactone 570.08
    1-methoxy-2-propanol 609.9
    pyridine 473.6
    3-pentanone 513.82
    furfural 383.79
    n-dodecane 143.27
    diethylene glycol 546.7
    diisopropyl ether 521.33
    tert-amyl alcohol 900.12
    acetylacetone 394.72
    n-hexadecane 151.1
    acetophenone 203.73
    methyl propionate 411.81
    isopentyl acetate 961.58
    trichloroethylene 482.82
    n-nonanol 491.2
    cyclohexanol 909.24
    benzyl alcohol 204.69
    2-ethylhexanol 1272.73
    isooctanol 428.54
    dipropyl ether 1547.86
    1,2-dichlorobenzene 205.81
    ethyl lactate 155.82
    propylene carbonate 369.74
    n-methylformamide 230.99
    2-pentanol 834.7
    n-pentane 843.4
    1-propoxy-2-propanol 1260.74
    1-methoxy-2-propyl acetate 650.05
    2-(2-methoxypropoxy) propanol 456.67
    mesitylene 182.09
    ε-caprolactone 676.87
    p-cymene 281.62
    epichlorohydrin 580.83
    1,1,1-trichloroethane 490.91
    2-aminoethanol 319.02
    morpholine-4-carbaldehyde 545.51
    sulfolane 494.82
    2,2,4-trimethylpentane 276.09
    2-methyltetrahydrofuran 1606.45
    n-hexyl acetate 637.78
    isooctane 228.6
    2-(2-butoxyethoxy)ethanol 621.08
    sec-butyl acetate 318.25
    tert-butyl acetate 492.02
    decalin 248.98
    glycerin 225.45
    diglyme 835.51
    acrylic acid 257.78
    isopropyl myristate 286.56
    n-butyric acid 773.38
    acetyl acetate 332.65
    di(2-ethylhexyl) phthalate 194.04
    ethyl propionate 343.54
    nitromethane 392.06
    1,2-diethoxyethane 934.04
    benzonitrile 240.97
    trioctyl phosphate 179.36
    1-bromopropane 697.93
    gamma-valerolactone 695.21
    n-decanol 372.79
    triethyl phosphate 202.51
    4-methyl-2-pentanol 451.79
    propionitrile 445.68
    vinylene carbonate 245.71
    1,1,2-trichlorotrifluoroethane 362.28
    DMS 228.07
    cumene 141.57
    2-octanol 388.29
    2-hexanone 586.2
    octyl acetate 366.41
    limonene 647.43
    1,2-dimethoxyethane 799.78
    ethyl orthosilicate 243.17
    tributyl phosphate 219.6
    diacetone alcohol 475.78
    N,N-dimethylaniline 193.63
    acrylonitrile 285.09
    aniline 312.98
    1,3-propanediol 441.67
    bromobenzene 269.65
    dibromomethane 581.77
    1,1,2,2-tetrachloroethane 441.1
    2-methyl-cyclohexyl acetate 477.76
    tetrabutyl urea 272.42
    diisobutyl methanol 544.03
    2-phenylethanol 432.73
    styrene 209.7
    dioctyl adipate 290.35
    dimethyl sulfate 111.27
    ethyl butyrate 683.36
    methyl lactate 165.66
    butyl lactate 278.18
    diethyl carbonate 302.91
    propanediol butyl ether 412.8
    triethyl orthoformate 477.84
    p-tert-butyltoluene 280.16
    methyl 4-tert-butylbenzoate 275.71
    morpholine 1169.66
    tert-butylamine 798.18
    n-dodecanol 300.86
    dimethoxymethane 450.3
    ethylene carbonate 254.01
    cyrene 244.86
    2-ethoxyethyl acetate 390.71
    2-ethylhexyl acetate 859.15
    1,2,4-trichlorobenzene 231.74
    4-methylpyridine 480.75
    dibutyl ether 905.31
    2,6-dimethyl-4-heptanol 544.03
    DEF 560.5
    dimethyl isosorbide 594.52
    tetrachloroethylene 340.72
    eugenol 251.55
    triacetin 330.56
    span 80 499.42
    1,4-butanediol 192.52
    1,1-dichloroethane 517.9
    2-methyl-1-pentanol 572.08
    methyl formate 153.46
    2-methyl-1-butanol 805.32
    n-decane 262.82
    butyronitrile 665.22
    3,7-dimethyl-1-octanol 579.6
    1-chlorooctane 438.83
    1-chlorotetradecane 185.28
    n-nonane 318.68
    undecane 182.79
    tert-butylcyclohexane 272.22
    cyclooctane 384.82
    cyclopentanol 709.91
    tetrahydropyran 1697.22
    tert-amyl methyl ether 840.92
    2,5,8-trioxanonane 577.56
    1-hexene 1165.87
    2-isopropoxyethanol 433.18
    2,2,2-trifluoroethanol 119.89
    methyl butyrate 416.37

    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