2-Hexen-1-ol, 3-methyl-, 1-acetate

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  • Identifiers

    CAS number
    341017-24-1

    Molecular formula
    C9H16O2

    SMILES
    CCC/C(=C/COC(=O)C)/C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 97.03%
    Green 87.47%
    Sweet 60.17%
    Apple 58.8%
    Floral 56.36%
    Tropical 54.35%
    Banana 52.77%
    Pear 52.12%
    Fresh 48.84%
    Waxy 44.53%

     

    Flavor
    Green 69.85%
    Fruity 64.06%
    Sweet 57.69%
    Bitter 55.09%
    Banana 48.76%
    Fresh 46.99%
    Fruit 46.78%
    Rose 44.23%
    Apple 42.44%
    Tropical 39.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.4 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    191°C

    Flash point

    • 74.48 ˚C est.

  • Synonyms

    • 2-Hexen-1-ol, 3-methyl-, acetate
    • 2-Hexen-1-ol, 3-methyl-, 1-acetate
    • 341017-24-1
    • DTXSID90889169
    • RefChem:472870
    • DTXCID601028437
    • 620-560-5
    • SCHEMBL3169676
    • 341017-24-1

  • Applications

    2-Hexen-1-ol, 3-methyl-, 1-acetate (CAS 341017-24-1) is an allylic acetate used as an odorant and intermediate in fragrance chemistry. In practice, it serves as a fragrance ingredient in perfumery and cosmetics/personal care formulations, contributing green and fruity notes; it is also employed in household products such as air fresheners and cleaners as a scent additive; it may function as an aroma chemical or flavor intermediate in food processing; and it is employed as an intermediate in industrial fragrance synthesis. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2556.46
    methanol 2736.56
    isopropanol 1894.79
    water 3.65
    ethyl acetate 933.59
    n-propanol 1529.92
    acetone 1636.15
    n-butanol 1390.38
    acetonitrile 1057.87
    DMF 1677.45
    toluene 330.98
    isobutanol 1018.97
    1,4-dioxane 2271.02
    methyl acetate 733.97
    THF 2342.03
    2-butanone 826.33
    n-pentanol 817.34
    sec-butanol 1258.93
    n-hexane 167.68
    ethylene glycol 469.66
    NMP 1426.91
    cyclohexane 212.14
    DMSO 1533.18
    n-butyl acetate 568.51
    n-octanol 348.33
    chloroform 2162.3
    n-propyl acetate 423.29
    acetic acid 1720.91
    dichloromethane 1536.97
    cyclohexanone 1349.25
    propylene glycol 807.33
    isopropyl acetate 540.76
    DMAc 1155.37
    2-ethoxyethanol 944.98
    isopentanol 993.14
    n-heptane 67.92
    ethyl formate 490.26
    1,2-dichloroethane 891.25
    n-hexanol 860.48
    2-methoxyethanol 1828.9
    isobutyl acetate 266.48
    tetrachloromethane 287.4
    n-pentyl acetate 307.59
    transcutol 3093.29
    n-heptanol 270.88
    ethylbenzene 176.59
    MIBK 424.29
    2-propoxyethanol 1117.18
    tert-butanol 2046.44
    MTBE 1040.95
    2-butoxyethanol 488.44
    propionic acid 1002.6
    o-xylene 227.82
    formic acid 526.5
    diethyl ether 1017.54
    m-xylene 264.42
    p-xylene 232.65
    chlorobenzene 448.13
    dimethyl carbonate 197.83
    n-octane 24.57
    formamide 608.25
    cyclopentanone 1325.96
    2-pentanone 793.0
    anisole 430.94
    cyclopentyl methyl ether 1005.95
    gamma-butyrolactone 1371.17
    1-methoxy-2-propanol 1274.44
    pyridine 1013.68
    3-pentanone 488.17
    furfural 988.05
    n-dodecane 22.02
    diethylene glycol 810.8
    diisopropyl ether 246.57
    tert-amyl alcohol 1388.37
    acetylacetone 772.9
    n-hexadecane 24.91
    acetophenone 344.05
    methyl propionate 600.01
    isopentyl acetate 500.18
    trichloroethylene 1660.67
    n-nonanol 286.32
    cyclohexanol 1253.67
    benzyl alcohol 402.07
    2-ethylhexanol 403.9
    isooctanol 211.25
    dipropyl ether 365.52
    1,2-dichlorobenzene 385.78
    ethyl lactate 233.09
    propylene carbonate 683.15
    n-methylformamide 778.7
    2-pentanol 850.52
    n-pentane 131.28
    1-propoxy-2-propanol 700.94
    1-methoxy-2-propyl acetate 551.86
    2-(2-methoxypropoxy) propanol 549.89
    mesitylene 159.29
    ε-caprolactone 1058.67
    p-cymene 118.6
    epichlorohydrin 1422.98
    1,1,1-trichloroethane 1004.03
    2-aminoethanol 1014.02
    morpholine-4-carbaldehyde 1408.67
    sulfolane 1403.17
    2,2,4-trimethylpentane 64.61
    2-methyltetrahydrofuran 1803.93
    n-hexyl acetate 580.83
    isooctane 45.17
    2-(2-butoxyethoxy)ethanol 833.85
    sec-butyl acetate 302.51
    tert-butyl acetate 605.87
    decalin 88.39
    glycerin 772.91
    diglyme 1235.65
    acrylic acid 738.78
    isopropyl myristate 191.67
    n-butyric acid 1315.59
    acetyl acetate 511.25
    di(2-ethylhexyl) phthalate 202.06
    ethyl propionate 367.3
    nitromethane 1547.38
    1,2-diethoxyethane 758.06
    benzonitrile 488.75
    trioctyl phosphate 141.2
    1-bromopropane 638.59
    gamma-valerolactone 1577.6
    n-decanol 198.79
    triethyl phosphate 172.15
    4-methyl-2-pentanol 385.56
    propionitrile 713.79
    vinylene carbonate 596.56
    1,1,2-trichlorotrifluoroethane 1090.17
    DMS 384.25
    cumene 133.23
    2-octanol 205.51
    2-hexanone 486.06
    octyl acetate 254.34
    limonene 227.59
    1,2-dimethoxyethane 1275.39
    ethyl orthosilicate 178.38
    tributyl phosphate 191.53
    diacetone alcohol 720.5
    N,N-dimethylaniline 288.96
    acrylonitrile 702.1
    aniline 620.04
    1,3-propanediol 1195.32
    bromobenzene 456.07
    dibromomethane 1121.44
    1,1,2,2-tetrachloroethane 1520.31
    2-methyl-cyclohexyl acetate 322.07
    tetrabutyl urea 231.71
    diisobutyl methanol 192.26
    2-phenylethanol 404.58
    styrene 227.33
    dioctyl adipate 300.81
    dimethyl sulfate 326.77
    ethyl butyrate 365.03
    methyl lactate 360.17
    butyl lactate 291.38
    diethyl carbonate 239.66
    propanediol butyl ether 624.15
    triethyl orthoformate 260.21
    p-tert-butyltoluene 122.27
    methyl 4-tert-butylbenzoate 346.04
    morpholine 2791.9
    tert-butylamine 1209.77
    n-dodecanol 143.93
    dimethoxymethane 804.47
    ethylene carbonate 528.75
    cyrene 422.18
    2-ethoxyethyl acetate 460.31
    2-ethylhexyl acetate 381.62
    1,2,4-trichlorobenzene 495.53
    4-methylpyridine 1032.23
    dibutyl ether 395.69
    2,6-dimethyl-4-heptanol 192.26
    DEF 879.03
    dimethyl isosorbide 771.63
    tetrachloroethylene 911.89
    eugenol 361.65
    triacetin 505.7
    span 80 535.71
    1,4-butanediol 429.67
    1,1-dichloroethane 1119.12
    2-methyl-1-pentanol 652.28
    methyl formate 482.23
    2-methyl-1-butanol 924.06
    n-decane 38.83
    butyronitrile 868.96
    3,7-dimethyl-1-octanol 327.56
    1-chlorooctane 182.76
    1-chlorotetradecane 66.43
    n-nonane 39.27
    undecane 27.94
    tert-butylcyclohexane 87.33
    cyclooctane 54.27
    cyclopentanol 1201.49
    tetrahydropyran 1951.27
    tert-amyl methyl ether 675.53
    2,5,8-trioxanonane 868.03
    1-hexene 498.69
    2-isopropoxyethanol 594.52
    2,2,2-trifluoroethanol 382.81
    methyl butyrate 521.91

    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