2,3,4,5-Tetramethylhexa-1,4-diene

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  • Identifiers

    Molecular formula
    C10H18

    SMILES
    CC(C(=C)C)C(=C(C)C)C

    Retention indicies (RI)

    • DB5: 1212.0

  • Odor profile

    Herbal 68.91%
    Woody 63.09%
    Citrus 58.39%
    Terpenic 51.64%
    Pine 43.81%
    Fresh 43.0%
    Lemon 41.41%
    Spicy 40.32%
    Sweet 39.48%
    Camphoreous 37.98%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    10.72 (weak base)

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    157°C

    Flash point est.
    38.82 ˚C

  • Synonyms

    • 2,3,4,5-Tetramethylhexa-1,4-diene
    • 1,4-Hexadiene, 2,3,4,5-tetramethyl-
    • ZPYYCZZBNXDIMQ-UHFFFAOYSA-N
    • 2,3,4,5-Tetramethyl-1,4-hexadiene #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 595.5
    methanol 341.78
    isopropanol 754.04
    water 0.33
    ethyl acetate 1036.93
    n-propanol 718.97
    acetone 951.48
    n-butanol 882.49
    acetonitrile 600.16
    DMF 774.78
    toluene 1016.51
    isobutanol 699.19
    1,4-dioxane 1916.34
    methyl acetate 868.29
    THF 3013.84
    2-butanone 1141.34
    n-pentanol 635.66
    sec-butanol 909.78
    n-hexane 1437.69
    ethylene glycol 45.51
    NMP 936.02
    cyclohexane 1096.88
    DMSO 442.65
    n-butyl acetate 1690.28
    n-octanol 788.4
    chloroform 2018.49
    n-propyl acetate 700.84
    acetic acid 234.45
    dichloromethane 1479.49
    cyclohexanone 1600.6
    propylene glycol 125.55
    isopropyl acetate 880.1
    DMAc 803.3
    2-ethoxyethanol 510.85
    isopentanol 867.52
    n-heptane 1261.27
    ethyl formate 426.05
    1,2-dichloroethane 1118.34
    n-hexanol 1687.99
    2-methoxyethanol 591.21
    isobutyl acetate 629.29
    tetrachloromethane 792.13
    n-pentyl acetate 863.97
    transcutol 1427.07
    n-heptanol 773.44
    ethylbenzene 732.92
    MIBK 843.3
    2-propoxyethanol 1316.17
    tert-butanol 1265.73
    MTBE 2111.15
    2-butoxyethanol 713.66
    propionic acid 346.0
    o-xylene 711.22
    formic acid 36.28
    diethyl ether 1863.81
    m-xylene 778.78
    p-xylene 856.37
    chlorobenzene 794.99
    dimethyl carbonate 245.62
    n-octane 470.04
    formamide 66.89
    cyclopentanone 1583.78
    2-pentanone 1108.17
    anisole 935.34
    cyclopentyl methyl ether 1877.02
    gamma-butyrolactone 1212.72
    1-methoxy-2-propanol 696.88
    pyridine 1053.18
    3-pentanone 960.7
    furfural 798.52
    n-dodecane 229.22
    diethylene glycol 369.22
    diisopropyl ether 1045.85
    tert-amyl alcohol 1211.65
    acetylacetone 826.2
    n-hexadecane 260.4
    acetophenone 622.59
    methyl propionate 730.23
    isopentyl acetate 1580.52
    trichloroethylene 1528.03
    n-nonanol 714.74
    cyclohexanol 1017.76
    benzyl alcohol 455.03
    2-ethylhexanol 1395.89
    isooctanol 698.24
    dipropyl ether 2160.56
    1,2-dichlorobenzene 741.22
    ethyl lactate 257.91
    propylene carbonate 718.44
    n-methylformamide 264.26
    2-pentanol 920.78
    n-pentane 892.28
    1-propoxy-2-propanol 1314.52
    1-methoxy-2-propyl acetate 1059.68
    2-(2-methoxypropoxy) propanol 613.71
    mesitylene 604.9
    ε-caprolactone 1289.27
    p-cymene 695.22
    epichlorohydrin 1467.21
    1,1,1-trichloroethane 1756.25
    2-aminoethanol 149.46
    morpholine-4-carbaldehyde 953.99
    sulfolane 1100.15
    2,2,4-trimethylpentane 419.56
    2-methyltetrahydrofuran 2609.68
    n-hexyl acetate 1244.44
    isooctane 372.06
    2-(2-butoxyethoxy)ethanol 815.82
    sec-butyl acetate 671.92
    tert-butyl acetate 1118.07
    decalin 578.93
    glycerin 123.97
    diglyme 1349.31
    acrylic acid 207.02
    isopropyl myristate 592.14
    n-butyric acid 676.5
    acetyl acetate 526.04
    di(2-ethylhexyl) phthalate 335.68
    ethyl propionate 703.84
    nitromethane 411.07
    1,2-diethoxyethane 1406.56
    benzonitrile 610.01
    trioctyl phosphate 317.21
    1-bromopropane 1422.35
    gamma-valerolactone 1404.23
    n-decanol 531.99
    triethyl phosphate 438.09
    4-methyl-2-pentanol 661.22
    propionitrile 807.88
    vinylene carbonate 549.88
    1,1,2-trichlorotrifluoroethane 597.21
    DMS 517.48
    cumene 590.72
    2-octanol 672.22
    2-hexanone 982.22
    octyl acetate 649.89
    limonene 1128.85
    1,2-dimethoxyethane 1341.51
    ethyl orthosilicate 499.27
    tributyl phosphate 371.5
    diacetone alcohol 823.16
    N,N-dimethylaniline 710.97
    acrylonitrile 573.59
    aniline 662.29
    1,3-propanediol 287.17
    bromobenzene 936.98
    dibromomethane 1292.44
    1,1,2,2-tetrachloroethane 1507.72
    2-methyl-cyclohexyl acetate 893.96
    tetrabutyl urea 450.54
    diisobutyl methanol 810.49
    2-phenylethanol 776.13
    styrene 724.43
    dioctyl adipate 547.42
    dimethyl sulfate 302.66
    ethyl butyrate 1052.31
    methyl lactate 246.78
    butyl lactate 449.27
    diethyl carbonate 571.52
    propanediol butyl ether 464.03
    triethyl orthoformate 816.56
    p-tert-butyltoluene 737.58
    methyl 4-tert-butylbenzoate 680.43
    morpholine 1898.69
    tert-butylamine 1179.44
    n-dodecanol 422.66
    dimethoxymethane 771.49
    ethylene carbonate 554.39
    cyrene 457.53
    2-ethoxyethyl acetate 770.06
    2-ethylhexyl acetate 1436.79
    1,2,4-trichlorobenzene 802.24
    4-methylpyridine 1324.11
    dibutyl ether 1498.43
    2,6-dimethyl-4-heptanol 810.49
    DEF 1048.19
    dimethyl isosorbide 1118.89
    tetrachloroethylene 967.06
    eugenol 522.91
    triacetin 564.83
    span 80 613.48
    1,4-butanediol 126.82
    1,1-dichloroethane 1549.36
    2-methyl-1-pentanol 680.92
    methyl formate 216.23
    2-methyl-1-butanol 859.79
    n-decane 440.07
    butyronitrile 975.94
    3,7-dimethyl-1-octanol 899.24
    1-chlorooctane 907.67
    1-chlorotetradecane 372.24
    n-nonane 515.04
    undecane 301.26
    tert-butylcyclohexane 644.8
    cyclooctane 585.08
    cyclopentanol 899.39
    tetrahydropyran 2584.12
    tert-amyl methyl ether 1657.44
    2,5,8-trioxanonane 864.12
    1-hexene 1901.07
    2-isopropoxyethanol 534.88
    2,2,2-trifluoroethanol 93.8
    methyl butyrate 811.26

    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

Botanical

Name CAS Botanical Proportion
Nepeta persica (Iran) Nepeta persica Boiss, fam. Lamiaceae (Labiatae) 10.9%