3,6-Dimethyl-3-vinylhept-5-en-2-ol

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  • Identifiers

    CAS number
    85136-10-3

    Molecular formula
    C11H20O

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

  • Odor profile

    Fragrance
    Herbal 64.78%
    Citrus 51.37%
    Woody 46.38%
    Fresh 35.63%
    Lavender 34.59%
    Lemon 33.5%
    Grapefruit 31.87%
    Floral 29.71%
    Pine 28.07%
    Spicy 27.18%

     

    Flavor
    Green 53.25%
    Woody 53.0%
    Citrus 52.79%
    Sweet 48.9%
    Herbal 48.56%
    Floral 48.34%
    Herb 38.99%
    Lavender 37.93%
    Wood 35.2%
    Tropical 34.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.75 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    209°C

    Flash point

    • 87.65 ˚C est.

  • Synonyms

    • 3,6-Dimethyl-3-vinylhept-5-en-2-ol
    • 85136-10-3
    • 3-ethenyl-3,6-dimethylhept-5-en-2-ol
    • EINECS 285-733-6
    • SCHEMBL295721
    • VLWIAHOZUQCLJS-UHFFFAOYSA-N
    • DTXSID701005553
    • NS00012341

  • Applications

    3,6-Dimethyl-3-vinylhept-5-en-2-ol (CAS 85136-10-3) is used as an intermediate and fragrance-related ingredient. In perfumery it may serve as a fragrance component with potential fixing properties, and in cosmetics and household products it can be employed to contribute scent to formulations. In industrial manufacturing it can be used as a reactive intermediate for the synthesis of terpenoid derivatives and other specialty chemicals. In polymers, coatings and inks it may function as a functional monomer or processing aid due to its alkenyl groups. It may also be evaluated for flavor or aroma formulations, subject to regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 330.01
    methanol 151.76
    isopropanol 445.48
    water 0.84
    ethyl acetate 322.99
    n-propanol 327.71
    acetone 299.5
    n-butanol 375.24
    acetonitrile 237.88
    DMF 274.01
    toluene 212.6
    isobutanol 308.21
    1,4-dioxane 649.3
    methyl acetate 318.13
    THF 917.07
    2-butanone 403.53
    n-pentanol 245.33
    sec-butanol 473.97
    n-hexane 109.98
    ethylene glycol 40.48
    NMP 270.91
    cyclohexane 162.63
    DMSO 214.27
    n-butyl acetate 376.67
    n-octanol 267.98
    chloroform 732.92
    n-propyl acetate 195.0
    acetic acid 152.31
    dichloromethane 506.38
    cyclohexanone 429.07
    propylene glycol 139.89
    isopropyl acetate 223.48
    DMAc 345.52
    2-ethoxyethanol 220.41
    isopentanol 356.89
    n-heptane 145.85
    ethyl formate 171.44
    1,2-dichloroethane 257.96
    n-hexanol 459.92
    2-methoxyethanol 333.48
    isobutyl acetate 157.35
    tetrachloromethane 170.41
    n-pentyl acetate 206.03
    transcutol 716.22
    n-heptanol 250.75
    ethylbenzene 162.24
    MIBK 214.28
    2-propoxyethanol 398.08
    tert-butanol 693.71
    MTBE 536.61
    2-butoxyethanol 269.73
    propionic acid 178.62
    o-xylene 170.75
    formic acid 33.8
    diethyl ether 350.57
    m-xylene 170.91
    p-xylene 219.53
    chlorobenzene 202.12
    dimethyl carbonate 73.26
    n-octane 52.97
    formamide 63.03
    cyclopentanone 447.13
    2-pentanone 294.53
    anisole 253.09
    cyclopentyl methyl ether 359.99
    gamma-butyrolactone 375.13
    1-methoxy-2-propanol 359.38
    pyridine 352.87
    3-pentanone 217.35
    furfural 312.3
    n-dodecane 42.33
    diethylene glycol 194.66
    diisopropyl ether 157.36
    tert-amyl alcohol 580.9
    acetylacetone 255.15
    n-hexadecane 46.61
    acetophenone 198.45
    methyl propionate 204.47
    isopentyl acetate 343.22
    trichloroethylene 500.93
    n-nonanol 233.05
    cyclohexanol 346.64
    benzyl alcohol 184.33
    2-ethylhexanol 319.61
    isooctanol 211.51
    dipropyl ether 316.66
    1,2-dichlorobenzene 187.75
    ethyl lactate 105.24
    propylene carbonate 264.04
    n-methylformamide 108.02
    2-pentanol 332.96
    n-pentane 106.3
    1-propoxy-2-propanol 388.16
    1-methoxy-2-propyl acetate 288.08
    2-(2-methoxypropoxy) propanol 302.0
    mesitylene 126.86
    ε-caprolactone 379.25
    p-cymene 157.19
    epichlorohydrin 423.12
    1,1,1-trichloroethane 428.83
    2-aminoethanol 121.48
    morpholine-4-carbaldehyde 350.97
    sulfolane 342.92
    2,2,4-trimethylpentane 76.68
    2-methyltetrahydrofuran 687.62
    n-hexyl acetate 330.99
    isooctane 65.59
    2-(2-butoxyethoxy)ethanol 365.14
    sec-butyl acetate 173.34
    tert-butyl acetate 278.27
    decalin 88.4
    glycerin 131.74
    diglyme 510.99
    acrylic acid 114.9
    isopropyl myristate 173.41
    n-butyric acid 306.64
    acetyl acetate 172.99
    di(2-ethylhexyl) phthalate 145.9
    ethyl propionate 178.53
    nitromethane 209.6
    1,2-diethoxyethane 333.65
    benzonitrile 220.63
    trioctyl phosphate 115.93
    1-bromopropane 303.93
    gamma-valerolactone 480.32
    n-decanol 180.2
    triethyl phosphate 128.05
    4-methyl-2-pentanol 218.25
    propionitrile 260.55
    vinylene carbonate 213.47
    1,1,2-trichlorotrifluoroethane 253.02
    DMS 163.01
    cumene 135.58
    2-octanol 190.37
    2-hexanone 243.89
    octyl acetate 201.66
    limonene 231.15
    1,2-dimethoxyethane 428.81
    ethyl orthosilicate 137.44
    tributyl phosphate 127.96
    diacetone alcohol 301.53
    N,N-dimethylaniline 196.01
    acrylonitrile 204.92
    aniline 221.22
    1,3-propanediol 201.68
    bromobenzene 216.2
    dibromomethane 405.33
    1,1,2,2-tetrachloroethane 446.49
    2-methyl-cyclohexyl acetate 250.39
    tetrabutyl urea 150.74
    diisobutyl methanol 208.3
    2-phenylethanol 240.08
    styrene 165.8
    dioctyl adipate 201.47
    dimethyl sulfate 103.3
    ethyl butyrate 262.42
    methyl lactate 114.43
    butyl lactate 172.83
    diethyl carbonate 167.42
    propanediol butyl ether 280.64
    triethyl orthoformate 199.6
    p-tert-butyltoluene 172.79
    methyl 4-tert-butylbenzoate 255.08
    morpholine 674.23
    tert-butylamine 509.33
    n-dodecanol 146.61
    dimethoxymethane 207.95
    ethylene carbonate 182.7
    cyrene 218.62
    2-ethoxyethyl acetate 230.61
    2-ethylhexyl acetate 284.02
    1,2,4-trichlorobenzene 232.6
    4-methylpyridine 383.24
    dibutyl ether 258.48
    2,6-dimethyl-4-heptanol 208.3
    DEF 241.79
    dimethyl isosorbide 431.93
    tetrachloroethylene 257.8
    eugenol 212.77
    triacetin 251.46
    span 80 300.44
    1,4-butanediol 80.21
    1,1-dichloroethane 423.07
    2-methyl-1-pentanol 252.86
    methyl formate 83.54
    2-methyl-1-butanol 330.71
    n-decane 69.61
    butyronitrile 341.03
    3,7-dimethyl-1-octanol 265.8
    1-chlorooctane 173.09
    1-chlorotetradecane 85.23
    n-nonane 69.55
    undecane 52.52
    tert-butylcyclohexane 96.71
    cyclooctane 63.17
    cyclopentanol 337.6
    tetrahydropyran 721.22
    tert-amyl methyl ether 370.54
    2,5,8-trioxanonane 394.84
    1-hexene 252.67
    2-isopropoxyethanol 202.68
    2,2,2-trifluoroethanol 56.2
    methyl butyrate 222.03

    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