2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, acetate

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  • Identifiers

    Molecular formula
    C12H22O2

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

  • Odor profile

    Fragrance
    Herbal 80.26%
    Woody 71.12%
    Fresh 57.38%
    Mint 52.13%
    Fruity 47.88%
    Spicy 44.7%
    Lavender 42.06%
    Pine 40.66%
    Camphoreous 38.42%
    Floral 37.01%

     

    Flavor
    Fruity 49.07%
    Floral 43.78%
    Tropical 39.61%
    Woody 34.11%
    Green 33.55%
    Herbal 32.85%
    Citrus 32.51%
    Bergamot 27.75%
    Bitter 27.34%
    Sweet 26.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.25 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point

    • 89.72 ˚C est.

  • Synonyms

    • 2-Isopropyl-5-methylhex-2-enyl acetate
    • 2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, acetate
    • [(Z)-5-methyl-2-propan-2-ylhex-2-enyl] acetate
    • Isodihydro lavandulyl acetate
    • EINECS 255-114-5
    • BRN 1770843
    • 2-Isopropyl-5-methyl-2-hexen-1-yl acetate
    • 2-Isopropyl-5-methyl-2-hexene-1-yl acetate
    • 2-Hexen-1-ol, 2-isopropyl-5-methyl-, acetate
    • 5-Methyl-2-(1-methylethyl)-2-hexen-1-yl acetate
    • ACETIC ACID, 2-ISOPROPYL-5-METHYL-2-HEXEN-1-YL ESTER
    • SCHEMBL3504689

  • Applications

    2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, acetate is an ester commonly used as a fragrance ingredient and odorant, often serving as a scent fixative in perfumery and aroma formulations; in cosmetics and personal care, it contributes a fruity/green note in creams, lotions, shampoos and fragrances; in household products, it provides fragrance in cleaners, detergents and air fresheners; in industrial manufacturing, it is valued as a building block or intermediate for fragrance synthesis and related aroma compounds; and in coatings, inks and adhesives, it may be used as a fragrance additive or scent carrier depending on the formulation and regulatory allowances.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 827.51
    methanol 583.5
    isopropanol 956.22
    water 0.62
    ethyl acetate 581.94
    n-propanol 683.06
    acetone 791.46
    n-butanol 695.45
    acetonitrile 451.13
    DMF 742.98
    toluene 369.56
    isobutanol 608.01
    1,4-dioxane 1252.02
    methyl acetate 522.72
    THF 1631.91
    2-butanone 660.63
    n-pentanol 509.54
    sec-butanol 821.05
    n-hexane 175.18
    ethylene glycol 99.97
    NMP 733.69
    cyclohexane 256.41
    DMSO 588.87
    n-butyl acetate 581.54
    n-octanol 394.32
    chloroform 1988.33
    n-propyl acetate 383.64
    acetic acid 498.61
    dichloromethane 1348.11
    cyclohexanone 1015.71
    propylene glycol 342.8
    isopropyl acetate 391.23
    DMAc 637.77
    2-ethoxyethanol 448.28
    isopentanol 645.16
    n-heptane 105.71
    ethyl formate 335.24
    1,2-dichloroethane 692.6
    n-hexanol 699.92
    2-methoxyethanol 679.14
    isobutyl acetate 304.5
    tetrachloromethane 301.75
    n-pentyl acetate 356.24
    transcutol 1423.89
    n-heptanol 339.44
    ethylbenzene 266.45
    MIBK 358.75
    2-propoxyethanol 674.75
    tert-butanol 1278.52
    MTBE 819.78
    2-butoxyethanol 445.86
    propionic acid 451.1
    o-xylene 285.05
    formic acid 99.67
    diethyl ether 495.53
    m-xylene 302.64
    p-xylene 398.39
    chlorobenzene 471.06
    dimethyl carbonate 131.98
    n-octane 51.33
    formamide 143.45
    cyclopentanone 1003.0
    2-pentanone 537.97
    anisole 433.02
    cyclopentyl methyl ether 648.81
    gamma-butyrolactone 900.51
    1-methoxy-2-propanol 689.73
    pyridine 761.21
    3-pentanone 338.36
    furfural 763.88
    n-dodecane 45.42
    diethylene glycol 373.83
    diisopropyl ether 211.92
    tert-amyl alcohol 982.56
    acetylacetone 556.64
    n-hexadecane 51.33
    acetophenone 385.25
    methyl propionate 363.35
    isopentyl acetate 544.68
    trichloroethylene 1394.01
    n-nonanol 339.08
    cyclohexanol 832.1
    benzyl alcohol 384.25
    2-ethylhexanol 445.51
    isooctanol 278.79
    dipropyl ether 345.98
    1,2-dichlorobenzene 416.29
    ethyl lactate 204.47
    propylene carbonate 607.31
    n-methylformamide 266.76
    2-pentanol 575.5
    n-pentane 123.9
    1-propoxy-2-propanol 594.44
    1-methoxy-2-propyl acetate 477.49
    2-(2-methoxypropoxy) propanol 472.45
    mesitylene 209.45
    ε-caprolactone 850.5
    p-cymene 203.79
    epichlorohydrin 1008.04
    1,1,1-trichloroethane 984.78
    2-aminoethanol 293.96
    morpholine-4-carbaldehyde 797.21
    sulfolane 921.16
    2,2,4-trimethylpentane 87.11
    2-methyltetrahydrofuran 1290.52
    n-hexyl acetate 585.74
    isooctane 68.57
    2-(2-butoxyethoxy)ethanol 606.18
    sec-butyl acetate 293.32
    tert-butyl acetate 459.74
    decalin 125.74
    glycerin 296.24
    diglyme 853.29
    acrylic acid 302.06
    isopropyl myristate 253.06
    n-butyric acid 758.63
    acetyl acetate 355.53
    di(2-ethylhexyl) phthalate 250.72
    ethyl propionate 303.86
    nitromethane 582.46
    1,2-diethoxyethane 508.04
    benzonitrile 471.07
    trioctyl phosphate 185.31
    1-bromopropane 565.01
    gamma-valerolactone 1141.88
    n-decanol 255.02
    triethyl phosphate 196.93
    4-methyl-2-pentanol 328.39
    propionitrile 435.43
    vinylene carbonate 500.01
    1,1,2-trichlorotrifluoroethane 708.97
    DMS 340.28
    cumene 203.61
    2-octanol 279.82
    2-hexanone 451.48
    octyl acetate 321.92
    limonene 330.03
    1,2-dimethoxyethane 733.22
    ethyl orthosilicate 193.38
    tributyl phosphate 220.92
    diacetone alcohol 543.52
    N,N-dimethylaniline 302.29
    acrylonitrile 399.96
    aniline 454.28
    1,3-propanediol 429.58
    bromobenzene 506.36
    dibromomethane 1001.83
    1,1,2,2-tetrachloroethane 1315.04
    2-methyl-cyclohexyl acetate 403.06
    tetrabutyl urea 255.22
    diisobutyl methanol 248.24
    2-phenylethanol 426.56
    styrene 304.14
    dioctyl adipate 357.6
    dimethyl sulfate 208.32
    ethyl butyrate 370.24
    methyl lactate 226.03
    butyl lactate 323.29
    diethyl carbonate 254.09
    propanediol butyl ether 560.85
    triethyl orthoformate 269.81
    p-tert-butyltoluene 212.96
    methyl 4-tert-butylbenzoate 411.48
    morpholine 1436.84
    tert-butylamine 813.4
    n-dodecanol 200.32
    dimethoxymethane 407.33
    ethylene carbonate 416.89
    cyrene 399.04
    2-ethoxyethyl acetate 409.63
    2-ethylhexyl acetate 437.76
    1,2,4-trichlorobenzene 530.65
    4-methylpyridine 852.0
    dibutyl ether 374.68
    2,6-dimethyl-4-heptanol 248.24
    DEF 451.12
    dimethyl isosorbide 712.44
    tetrachloroethylene 721.24
    eugenol 375.91
    triacetin 471.03
    span 80 527.5
    1,4-butanediol 200.03
    1,1-dichloroethane 988.26
    2-methyl-1-pentanol 478.88
    methyl formate 202.55
    2-methyl-1-butanol 597.36
    n-decane 73.56
    butyronitrile 578.69
    3,7-dimethyl-1-octanol 375.06
    1-chlorooctane 241.65
    1-chlorotetradecane 111.02
    n-nonane 72.43
    undecane 55.51
    tert-butylcyclohexane 130.52
    cyclooctane 82.11
    cyclopentanol 773.1
    tetrahydropyran 1320.09
    tert-amyl methyl ether 541.45
    2,5,8-trioxanonane 625.45
    1-hexene 424.41
    2-isopropoxyethanol 369.97
    2,2,2-trifluoroethanol 143.51
    methyl butyrate 426.14

    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