(E)-3,7-Dimethyl-2,6-octadien-4-ol

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  • Identifiers

    CAS number
    85676-84-2

    Molecular formula
    C10H18O

    SMILES
    C/C=C(\C)/C(CC=C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 51.81%
    Green 46.24%
    Citrus 33.83%
    Earthy 33.48%
    Floral 32.88%
    Sweet 32.49%
    Woody 32.2%
    Lemon 31.98%
    Mint 29.92%
    Oily 29.88%

     

    Flavor
    Sweet 66.54%
    Herbal 60.28%
    Green 52.37%
    Citrus 47.28%
    Herb 43.8%
    Woody 43.57%
    Floral 42.0%
    Spicy 39.07%
    Lavender 32.37%
    Lemon 32.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.55 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    205°C

    Flash point

    • 83.17 ˚C est.

  • Synonyms

    • EINECS 288-187-7
    • (E)-3,7-Dimethyl-2,6-octadien-4-ol
    • 85676-84-2
    • (2E)-3,7-dimethylocta-2,6-dien-4-ol
    • DBDAINYAWYUITG-WEVVVXLNSA-N
    • DTXSID201283803
    • NS00065878
    • 2,6-Octadien-4-ol, 3,7-dimethyl-, (E)-
    • 85676-84-2

  • Applications

    Chemical name (E)-3,7-Dimethyl-2,6-octadien-4-ol (CAS 85676-84-2) is primarily used as an odorant and fragrance ingredient in perfumery and cosmetics, and as a fragrance-related intermediate in aroma chemistry. It is commonly employed in cosmetic and personal care formulations to impart or modify scent, and may be used in household cleaning products to enhance fragrance. In coatings and inks, it can be added as a light fragrance component to improve odor profiles. Given its alcohol functionality and conjugated diene structure, it can serve as an intermediate or building block for the synthesis of more complex aroma compounds in industrial manufacturing. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 503.81
    methanol 367.61
    isopropanol 500.18
    water 1.17
    ethyl acetate 269.24
    n-propanol 449.21
    acetone 180.46
    n-butanol 532.02
    acetonitrile 234.16
    DMF 201.28
    toluene 189.77
    isobutanol 319.49
    1,4-dioxane 699.91
    methyl acetate 227.84
    THF 728.37
    2-butanone 266.66
    n-pentanol 336.3
    sec-butanol 511.09
    n-hexane 221.63
    ethylene glycol 52.11
    NMP 176.62
    cyclohexane 238.74
    DMSO 148.62
    n-butyl acetate 348.61
    n-octanol 240.66
    chloroform 786.52
    n-propyl acetate 172.04
    acetic acid 197.43
    dichloromethane 416.95
    cyclohexanone 312.74
    propylene glycol 127.8
    isopropyl acetate 172.08
    DMAc 228.66
    2-ethoxyethanol 284.07
    isopentanol 421.84
    n-heptane 198.51
    ethyl formate 141.28
    1,2-dichloroethane 237.77
    n-hexanol 608.93
    2-methoxyethanol 404.07
    isobutyl acetate 127.96
    tetrachloromethane 186.22
    n-pentyl acetate 194.52
    transcutol 820.6
    n-heptanol 279.03
    ethylbenzene 142.71
    MIBK 149.06
    2-propoxyethanol 479.13
    tert-butanol 696.49
    MTBE 530.66
    2-butoxyethanol 318.13
    propionic acid 196.65
    o-xylene 135.97
    formic acid 53.86
    diethyl ether 486.13
    m-xylene 131.61
    p-xylene 178.93
    chlorobenzene 174.43
    dimethyl carbonate 45.23
    n-octane 60.91
    formamide 68.6
    cyclopentanone 251.17
    2-pentanone 212.24
    anisole 207.18
    cyclopentyl methyl ether 287.18
    gamma-butyrolactone 232.87
    1-methoxy-2-propanol 344.76
    pyridine 373.4
    3-pentanone 155.32
    furfural 237.48
    n-dodecane 36.78
    diethylene glycol 209.91
    diisopropyl ether 149.88
    tert-amyl alcohol 599.02
    acetylacetone 148.89
    n-hexadecane 39.94
    acetophenone 153.94
    methyl propionate 141.03
    isopentyl acetate 288.0
    trichloroethylene 414.44
    n-nonanol 214.67
    cyclohexanol 338.66
    benzyl alcohol 156.13
    2-ethylhexanol 335.52
    isooctanol 204.07
    dipropyl ether 388.8
    1,2-dichlorobenzene 157.14
    ethyl lactate 85.75
    propylene carbonate 167.81
    n-methylformamide 94.33
    2-pentanol 396.83
    n-pentane 187.29
    1-propoxy-2-propanol 404.75
    1-methoxy-2-propyl acetate 215.53
    2-(2-methoxypropoxy) propanol 257.16
    mesitylene 96.01
    ε-caprolactone 293.06
    p-cymene 124.18
    epichlorohydrin 327.87
    1,1,1-trichloroethane 359.73
    2-aminoethanol 152.29
    morpholine-4-carbaldehyde 270.05
    sulfolane 198.36
    2,2,4-trimethylpentane 76.08
    2-methyltetrahydrofuran 563.79
    n-hexyl acetate 274.58
    isooctane 60.22
    2-(2-butoxyethoxy)ethanol 351.15
    sec-butyl acetate 143.53
    tert-butyl acetate 199.32
    decalin 93.16
    glycerin 126.64
    diglyme 527.52
    acrylic acid 130.61
    isopropyl myristate 123.96
    n-butyric acid 335.52
    acetyl acetate 126.04
    di(2-ethylhexyl) phthalate 107.66
    ethyl propionate 145.05
    nitromethane 171.43
    1,2-diethoxyethane 361.24
    benzonitrile 200.68
    trioctyl phosphate 81.84
    1-bromopropane 310.0
    gamma-valerolactone 349.79
    n-decanol 156.97
    triethyl phosphate 103.4
    4-methyl-2-pentanol 217.83
    propionitrile 285.21
    vinylene carbonate 151.31
    1,1,2-trichlorotrifluoroethane 234.27
    DMS 112.15
    cumene 113.47
    2-octanol 187.25
    2-hexanone 203.61
    octyl acetate 149.47
    limonene 190.15
    1,2-dimethoxyethane 460.18
    ethyl orthosilicate 122.49
    tributyl phosphate 93.27
    diacetone alcohol 213.98
    N,N-dimethylaniline 157.01
    acrylonitrile 210.34
    aniline 202.61
    1,3-propanediol 258.79
    bromobenzene 180.38
    dibromomethane 363.24
    1,1,2,2-tetrachloroethane 427.47
    2-methyl-cyclohexyl acetate 190.72
    tetrabutyl urea 108.48
    diisobutyl methanol 189.7
    2-phenylethanol 212.7
    styrene 150.79
    dioctyl adipate 144.72
    dimethyl sulfate 57.68
    ethyl butyrate 227.74
    methyl lactate 78.63
    butyl lactate 141.43
    diethyl carbonate 145.11
    propanediol butyl ether 234.98
    triethyl orthoformate 194.6
    p-tert-butyltoluene 128.94
    methyl 4-tert-butylbenzoate 178.49
    morpholine 744.46
    tert-butylamine 563.66
    n-dodecanol 120.77
    dimethoxymethane 166.37
    ethylene carbonate 138.26
    cyrene 153.61
    2-ethoxyethyl acetate 205.94
    2-ethylhexyl acetate 248.36
    1,2,4-trichlorobenzene 177.42
    4-methylpyridine 344.21
    dibutyl ether 266.72
    2,6-dimethyl-4-heptanol 189.7
    DEF 197.02
    dimethyl isosorbide 312.88
    tetrachloroethylene 288.65
    eugenol 180.27
    triacetin 176.44
    span 80 270.12
    1,4-butanediol 97.34
    1,1-dichloroethane 351.35
    2-methyl-1-pentanol 294.57
    methyl formate 61.61
    2-methyl-1-butanol 375.61
    n-decane 67.12
    butyronitrile 370.92
    3,7-dimethyl-1-octanol 220.51
    1-chlorooctane 153.71
    1-chlorotetradecane 66.63
    n-nonane 69.76
    undecane 46.84
    tert-butylcyclohexane 95.65
    cyclooctane 80.9
    cyclopentanol 267.36
    tetrahydropyran 759.64
    tert-amyl methyl ether 361.88
    2,5,8-trioxanonane 350.86
    1-hexene 415.11
    2-isopropoxyethanol 223.19
    2,2,2-trifluoroethanol 58.48
    methyl butyrate 186.56

    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