2-Ethyl-2-prenyl-3-hexenol

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  • Identifiers

    CAS number
    85136-06-7

    Molecular formula
    C13H24O

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 51.21%
    Floral 47.26%
    Citrus 45.88%
    Fruity 45.05%
    Fresh 36.3%
    Woody 34.87%
    Waxy 33.98%
    Oily 30.95%
    Green 30.77%
    Grapefruit 29.98%

     

    Flavor
    Floral 55.69%
    Citrus 44.15%
    Herbal 42.76%
    Green 41.65%
    Sweet 41.2%
    Waxy 39.34%
    Fresh 38.64%
    Rose 32.36%
    Herb 31.37%
    Woody 31.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    9.69 (weak base)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point

    • 116.91 ˚C est.

  • Synonyms

    • 2-Ethyl-2-prenyl-3-hexenol
    • 85136-06-7
    • 3-Hexen-1-ol, 2-ethyl-2-(3-methyl-2-buten-1-yl)-
    • SCHEMBL295588
    • DTXSID20888660
    • NS00012429
    • 2-Ethyl-2-(3-methylbut-2-en-1-yl)hex-3-en-1-ol
    • Q27266606
    • 2-ETHYL-2-(3-METHYL-2-BUTEN-1-YL)-3-HEXEN-1-OL
    • 85136-06-7

  • Applications

    2-Ethyl-2-prenyl-3-hexenol (CAS 85136-06-7) is typically used as a fragrance ingredient and odorant in perfumery, and may be employed as an aroma compound in flavor applications; it can also find use in cosmetics and personal care products as a scent ingredient, and in household products (detergents and cleaners) to impart a green, floral or woody note. In industrial manufacturing, it may serve as an intermediate or building block in the synthesis of other terpenoid fragrance chemicals. In polymers and plastics, coatings and inks, it can be added as a scent additive to impart long-lasting aroma on molded parts and surfaces. Additionally, as a terpenoid-derived compound, it may be evaluated as a precursor for further fragrance compound synthesis, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 913.62
    methanol 258.84
    isopropanol 1305.64
    water 0.14
    ethyl acetate 1071.16
    n-propanol 1003.47
    acetone 1100.85
    n-butanol 1131.22
    acetonitrile 563.41
    DMF 778.17
    toluene 566.54
    isobutanol 966.42
    1,4-dioxane 1564.87
    methyl acetate 814.7
    THF 2380.76
    2-butanone 1336.01
    n-pentanol 646.56
    sec-butanol 1311.21
    n-hexane 312.29
    ethylene glycol 55.08
    NMP 545.12
    cyclohexane 570.5
    DMSO 637.24
    n-butyl acetate 1200.24
    n-octanol 546.12
    chloroform 1938.35
    n-propyl acetate 612.6
    acetic acid 337.26
    dichloromethane 1558.77
    cyclohexanone 1448.08
    propylene glycol 205.61
    isopropyl acetate 700.16
    DMAc 652.93
    2-ethoxyethanol 504.59
    isopentanol 1080.18
    n-heptane 363.89
    ethyl formate 512.96
    1,2-dichloroethane 1009.67
    n-hexanol 1148.79
    2-methoxyethanol 749.49
    isobutyl acetate 483.57
    tetrachloromethane 379.11
    n-pentyl acetate 589.41
    transcutol 1726.61
    n-heptanol 542.76
    ethylbenzene 355.14
    MIBK 652.7
    2-propoxyethanol 869.76
    tert-butanol 1830.19
    MTBE 1644.33
    2-butoxyethanol 580.59
    propionic acid 423.04
    o-xylene 372.74
    formic acid 39.21
    diethyl ether 1321.07
    m-xylene 414.19
    p-xylene 433.94
    chlorobenzene 563.37
    dimethyl carbonate 180.82
    n-octane 123.04
    formamide 79.31
    cyclopentanone 1358.97
    2-pentanone 1101.11
    anisole 535.73
    cyclopentyl methyl ether 1039.6
    gamma-butyrolactone 1014.35
    1-methoxy-2-propanol 783.57
    pyridine 1032.36
    3-pentanone 673.7
    furfural 699.73
    n-dodecane 81.34
    diethylene glycol 343.45
    diisopropyl ether 462.04
    tert-amyl alcohol 1419.0
    acetylacetone 719.39
    n-hexadecane 92.12
    acetophenone 438.6
    methyl propionate 595.68
    isopentyl acetate 1098.25
    trichloroethylene 1656.52
    n-nonanol 445.57
    cyclohexanol 979.97
    benzyl alcohol 364.26
    2-ethylhexanol 753.8
    isooctanol 456.9
    dipropyl ether 958.97
    1,2-dichlorobenzene 461.97
    ethyl lactate 228.53
    propylene carbonate 659.16
    n-methylformamide 253.02
    2-pentanol 958.49
    n-pentane 336.6
    1-propoxy-2-propanol 874.68
    1-methoxy-2-propyl acetate 689.1
    2-(2-methoxypropoxy) propanol 479.38
    mesitylene 307.96
    ε-caprolactone 1007.52
    p-cymene 323.63
    epichlorohydrin 1304.89
    1,1,1-trichloroethane 1350.12
    2-aminoethanol 190.26
    morpholine-4-carbaldehyde 671.87
    sulfolane 888.89
    2,2,4-trimethylpentane 158.1
    2-methyltetrahydrofuran 1925.13
    n-hexyl acetate 828.66
    isooctane 158.24
    2-(2-butoxyethoxy)ethanol 693.1
    sec-butyl acetate 490.45
    tert-butyl acetate 768.04
    decalin 191.25
    glycerin 190.02
    diglyme 1125.82
    acrylic acid 234.15
    isopropyl myristate 360.67
    n-butyric acid 891.42
    acetyl acetate 420.5
    di(2-ethylhexyl) phthalate 250.17
    ethyl propionate 509.34
    nitromethane 501.15
    1,2-diethoxyethane 898.25
    benzonitrile 523.01
    trioctyl phosphate 225.8
    1-bromopropane 1272.5
    gamma-valerolactone 1261.11
    n-decanol 327.02
    triethyl phosphate 251.55
    4-methyl-2-pentanol 527.96
    propionitrile 725.6
    vinylene carbonate 512.5
    1,1,2-trichlorotrifluoroethane 559.7
    DMS 356.79
    cumene 263.88
    2-octanol 408.02
    2-hexanone 735.97
    octyl acetate 414.95
    limonene 517.29
    1,2-dimethoxyethane 1028.37
    ethyl orthosilicate 269.95
    tributyl phosphate 260.0
    diacetone alcohol 706.28
    N,N-dimethylaniline 353.17
    acrylonitrile 528.12
    aniline 504.25
    1,3-propanediol 422.86
    bromobenzene 664.69
    dibromomethane 1340.77
    1,1,2,2-tetrachloroethane 1421.07
    2-methyl-cyclohexyl acetate 539.72
    tetrabutyl urea 308.8
    diisobutyl methanol 465.43
    2-phenylethanol 476.37
    styrene 399.1
    dioctyl adipate 408.51
    dimethyl sulfate 235.92
    ethyl butyrate 737.9
    methyl lactate 220.39
    butyl lactate 395.93
    diethyl carbonate 388.46
    propanediol butyl ether 530.64
    triethyl orthoformate 472.08
    p-tert-butyltoluene 335.42
    methyl 4-tert-butylbenzoate 483.32
    morpholine 1764.19
    tert-butylamine 1352.13
    n-dodecanol 259.2
    dimethoxymethane 613.21
    ethylene carbonate 481.59
    cyrene 362.68
    2-ethoxyethyl acetate 579.16
    2-ethylhexyl acetate 829.64
    1,2,4-trichlorobenzene 525.48
    4-methylpyridine 1031.71
    dibutyl ether 720.11
    2,6-dimethyl-4-heptanol 465.43
    DEF 750.27
    dimethyl isosorbide 753.97
    tetrachloroethylene 767.45
    eugenol 391.31
    triacetin 502.01
    span 80 529.38
    1,4-butanediol 152.48
    1,1-dichloroethane 1514.86
    2-methyl-1-pentanol 607.93
    methyl formate 203.12
    2-methyl-1-butanol 957.65
    n-decane 145.37
    butyronitrile 1155.99
    3,7-dimethyl-1-octanol 531.54
    1-chlorooctane 406.44
    1-chlorotetradecane 173.37
    n-nonane 161.79
    undecane 104.46
    tert-butylcyclohexane 197.66
    cyclooctane 193.12
    cyclopentanol 873.25
    tetrahydropyran 2338.07
    tert-amyl methyl ether 929.25
    2,5,8-trioxanonane 692.78
    1-hexene 782.64
    2-isopropoxyethanol 456.69
    2,2,2-trifluoroethanol 83.58
    methyl butyrate 693.17

    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