2,5,5-Trimethyl-1,6-heptadiene

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  • Identifiers

    CAS number
    62238-28-2

    Molecular formula
    C10H18

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

  • Odor profile

    Herbal 72.97%
    Citrus 67.27%
    Woody 59.13%
    Floral 53.19%
    Terpenic 52.34%
    Sweet 49.08%
    Fresh 47.41%
    Lemon 43.77%
    Pine 42.14%
    Lavender 41.32%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    150°C

    Flash point est.
    34.57 ˚C

  • Synonyms

    • 2,5,5-Trimethyl-1,6-heptadiene
    • 1,6-Heptadiene, 2,5,5-trimethyl-
    • 62238-28-2
    • IFNFARVJUNNPDT-UHFFFAOYSA-N
    • 2,5,5-Trimethyl-1,6-heptadiene #
    • DB-302423

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 105.36
    methanol 47.37
    isopropanol 160.65
    water 0.16
    ethyl acetate 178.6
    n-propanol 132.14
    acetone 150.65
    n-butanol 163.06
    acetonitrile 79.85
    DMF 143.88
    toluene 157.09
    isobutanol 137.25
    1,4-dioxane 268.3
    methyl acetate 143.93
    THF 439.46
    2-butanone 214.66
    n-pentanol 124.37
    sec-butanol 209.12
    n-hexane 164.31
    ethylene glycol 19.87
    NMP 149.57
    cyclohexane 152.53
    DMSO 102.63
    n-butyl acetate 332.3
    n-octanol 233.03
    chloroform 320.3
    n-propyl acetate 117.16
    acetic acid 53.95
    dichloromethane 196.02
    cyclohexanone 246.03
    propylene glycol 70.02
    isopropyl acetate 158.61
    DMAc 206.99
    2-ethoxyethanol 110.84
    isopentanol 178.41
    n-heptane 310.04
    ethyl formate 69.05
    1,2-dichloroethane 122.65
    n-hexanol 405.18
    2-methoxyethanol 143.35
    isobutyl acetate 126.72
    tetrachloromethane 90.13
    n-pentyl acetate 159.34
    transcutol 433.23
    n-heptanol 205.41
    ethylbenzene 145.9
    MIBK 169.47
    2-propoxyethanol 328.55
    tert-butanol 285.92
    MTBE 343.77
    2-butoxyethanol 189.47
    propionic acid 78.17
    o-xylene 145.3
    formic acid 9.7
    diethyl ether 216.68
    m-xylene 154.34
    p-xylene 181.22
    chlorobenzene 135.55
    dimethyl carbonate 51.65
    n-octane 100.13
    formamide 15.68
    cyclopentanone 262.27
    2-pentanone 185.52
    anisole 193.82
    cyclopentyl methyl ether 259.06
    gamma-butyrolactone 177.13
    1-methoxy-2-propanol 199.51
    pyridine 181.81
    3-pentanone 155.19
    furfural 156.5
    n-dodecane 82.66
    diethylene glycol 128.16
    diisopropyl ether 151.4
    tert-amyl alcohol 302.83
    acetylacetone 169.54
    n-hexadecane 89.48
    acetophenone 148.3
    methyl propionate 127.96
    isopentyl acetate 340.24
    trichloroethylene 236.55
    n-nonanol 210.05
    cyclohexanol 179.95
    benzyl alcohol 108.28
    2-ethylhexanol 366.28
    isooctanol 185.26
    dipropyl ether 393.93
    1,2-dichlorobenzene 131.73
    ethyl lactate 74.93
    propylene carbonate 142.67
    n-methylformamide 46.63
    2-pentanol 180.2
    n-pentane 118.6
    1-propoxy-2-propanol 395.4
    1-methoxy-2-propyl acetate 306.76
    2-(2-methoxypropoxy) propanol 293.17
    mesitylene 129.18
    ε-caprolactone 207.49
    p-cymene 210.89
    epichlorohydrin 210.34
    1,1,1-trichloroethane 238.9
    2-aminoethanol 48.39
    morpholine-4-carbaldehyde 198.62
    sulfolane 200.45
    2,2,4-trimethylpentane 93.29
    2-methyltetrahydrofuran 377.0
    n-hexyl acetate 282.12
    isooctane 86.6
    2-(2-butoxyethoxy)ethanol 288.46
    sec-butyl acetate 135.81
    tert-butyl acetate 221.87
    decalin 117.28
    glycerin 65.56
    diglyme 373.23
    acrylic acid 53.5
    isopropyl myristate 199.17
    n-butyric acid 129.79
    acetyl acetate 105.74
    di(2-ethylhexyl) phthalate 141.97
    ethyl propionate 128.15
    nitromethane 78.02
    1,2-diethoxyethane 271.48
    benzonitrile 124.53
    trioctyl phosphate 116.37
    1-bromopropane 197.54
    gamma-valerolactone 238.64
    n-decanol 178.06
    triethyl phosphate 141.83
    4-methyl-2-pentanol 159.86
    propionitrile 119.38
    vinylene carbonate 105.39
    1,1,2-trichlorotrifluoroethane 146.05
    DMS 141.69
    cumene 138.38
    2-octanol 168.95
    2-hexanone 179.17
    octyl acetate 218.69
    limonene 308.8
    1,2-dimethoxyethane 251.95
    ethyl orthosilicate 149.9
    tributyl phosphate 126.2
    diacetone alcohol 223.2
    N,N-dimethylaniline 175.49
    acrylonitrile 94.95
    aniline 124.27
    1,3-propanediol 78.66
    bromobenzene 164.07
    dibromomethane 184.73
    1,1,2,2-tetrachloroethane 243.12
    2-methyl-cyclohexyl acetate 253.82
    tetrabutyl urea 162.56
    diisobutyl methanol 261.22
    2-phenylethanol 201.5
    styrene 138.03
    dioctyl adipate 207.78
    dimethyl sulfate 68.65
    ethyl butyrate 237.53
    methyl lactate 79.34
    butyl lactate 137.79
    diethyl carbonate 147.1
    propanediol butyl ether 184.46
    triethyl orthoformate 206.0
    p-tert-butyltoluene 232.15
    methyl 4-tert-butylbenzoate 234.27
    morpholine 275.26
    tert-butylamine 246.11
    n-dodecanol 158.12
    dimethoxymethane 139.63
    ethylene carbonate 97.09
    cyrene 156.65
    2-ethoxyethyl acetate 168.82
    2-ethylhexyl acetate 302.5
    1,2,4-trichlorobenzene 165.47
    4-methylpyridine 197.87
    dibutyl ether 282.58
    2,6-dimethyl-4-heptanol 261.22
    DEF 158.3
    dimethyl isosorbide 407.94
    tetrachloroethylene 133.32
    eugenol 181.08
    triacetin 214.05
    span 80 274.15
    1,4-butanediol 36.56
    1,1-dichloroethane 202.25
    2-methyl-1-pentanol 151.23
    methyl formate 35.17
    2-methyl-1-butanol 174.5
    n-decane 113.47
    butyronitrile 145.29
    3,7-dimethyl-1-octanol 270.15
    1-chlorooctane 213.53
    1-chlorotetradecane 128.66
    n-nonane 119.54
    undecane 93.14
    tert-butylcyclohexane 134.01
    cyclooctane 95.44
    cyclopentanol 160.42
    tetrahydropyran 342.57
    tert-amyl methyl ether 317.56
    2,5,8-trioxanonane 333.67
    1-hexene 239.72
    2-isopropoxyethanol 125.34
    2,2,2-trifluoroethanol 20.69
    methyl butyrate 149.43

    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
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 0.34%