1-Hexen-1-ol, 1-acetate

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  • Identifiers

    CAS number
    32797-50-5

    Molecular formula
    C8H14O2

    SMILES
    CCCCC=COC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 97.6%
    Green 91.36%
    Apple 65.0%
    Tropical 60.61%
    Pineapple 53.15%
    Banana 51.15%
    Fresh 48.6%
    Sweet 46.71%
    Pear 43.96%
    Melon 38.54%

     

    Flavor
    Green 65.25%
    Fruity 46.38%
    Sweet 46.29%
    Fresh 46.18%
    Herbal 37.69%
    Waxy 35.94%
    Fruit 33.61%
    Fatty 32.9%
    Tropical 32.41%
    Earthy 30.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.67 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    170°C

    Flash point

    • 59.97 ˚C est.

  • Synonyms

    • 1-Hexen-1-ol, 1-acetate
    • DTXSID201313698
    • 32797-50-5
    • RefChem:1055535
    • DTXCID001743510
    • Hexenyl acetate
    • hexenol acetate
    • SCHEMBL309927
    • NS00056306
    • 28933-77-9
    • 32797-50-5

  • Applications

    1-Hexen-1-ol, 1-acetate (CAS 32797-50-5) is an ester of 1-hexen-1-ol and acetic acid. It is primarily used as a fragrance ingredient in perfumes and scented products, delivering a green, fresh note. It is used as an aroma component in flavor applications to contribute green/fruit-like nuances at low levels. In cosmetics and personal care formulations, it serves as a fragrance ingredient shaping the overall scent profile. In household cleaning products, it is used as a fragrance additive to impart a fresh odor. Additionally, hexenyl acetate is used as an intermediate in the synthesis of other fragrance compounds in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1239.16
    methanol 1354.05
    isopropanol 846.88
    water 0.47
    ethyl acetate 555.36
    n-propanol 733.5
    acetone 1379.21
    n-butanol 658.53
    acetonitrile 524.82
    DMF 2088.26
    toluene 233.1
    isobutanol 522.87
    1,4-dioxane 923.51
    methyl acetate 501.34
    THF 1634.03
    2-butanone 742.67
    n-pentanol 480.16
    sec-butanol 612.58
    n-hexane 117.84
    ethylene glycol 250.09
    NMP 1410.66
    cyclohexane 81.87
    DMSO 2051.56
    n-butyl acetate 475.33
    n-octanol 208.16
    chloroform 1100.38
    n-propyl acetate 330.81
    acetic acid 990.29
    dichloromethane 920.54
    cyclohexanone 1010.15
    propylene glycol 433.73
    isopropyl acetate 379.48
    DMAc 1229.57
    2-ethoxyethanol 544.0
    isopentanol 556.62
    n-heptane 37.87
    ethyl formate 310.54
    1,2-dichloroethane 669.98
    n-hexanol 520.32
    2-methoxyethanol 1076.88
    isobutyl acetate 234.36
    tetrachloromethane 132.59
    n-pentyl acetate 242.25
    transcutol 2224.74
    n-heptanol 161.0
    ethylbenzene 137.44
    MIBK 372.33
    2-propoxyethanol 748.87
    tert-butanol 1030.27
    MTBE 643.3
    2-butoxyethanol 325.82
    propionic acid 611.58
    o-xylene 157.49
    formic acid 260.73
    diethyl ether 554.76
    m-xylene 189.8
    p-xylene 172.21
    chlorobenzene 325.16
    dimethyl carbonate 175.67
    n-octane 15.46
    formamide 309.88
    cyclopentanone 1234.1
    2-pentanone 673.73
    anisole 323.63
    cyclopentyl methyl ether 728.76
    gamma-butyrolactone 1137.26
    1-methoxy-2-propanol 914.13
    pyridine 659.57
    3-pentanone 395.33
    furfural 784.9
    n-dodecane 14.65
    diethylene glycol 562.09
    diisopropyl ether 158.75
    tert-amyl alcohol 727.06
    acetylacetone 724.67
    n-hexadecane 16.71
    acetophenone 290.25
    methyl propionate 443.97
    isopentyl acetate 435.84
    trichloroethylene 1176.48
    n-nonanol 170.64
    cyclohexanol 611.86
    benzyl alcohol 299.52
    2-ethylhexanol 271.95
    isooctanol 140.51
    dipropyl ether 248.15
    1,2-dichlorobenzene 293.61
    ethyl lactate 182.53
    propylene carbonate 535.47
    n-methylformamide 612.86
    2-pentanol 455.66
    n-pentane 65.54
    1-propoxy-2-propanol 556.16
    1-methoxy-2-propyl acetate 458.64
    2-(2-methoxypropoxy) propanol 436.61
    mesitylene 121.07
    ε-caprolactone 728.36
    p-cymene 90.06
    epichlorohydrin 1098.5
    1,1,1-trichloroethane 604.58
    2-aminoethanol 486.53
    morpholine-4-carbaldehyde 991.23
    sulfolane 1626.98
    2,2,4-trimethylpentane 41.53
    2-methyltetrahydrofuran 1139.86
    n-hexyl acetate 427.13
    isooctane 34.03
    2-(2-butoxyethoxy)ethanol 591.6
    sec-butyl acetate 241.01
    tert-butyl acetate 485.54
    decalin 59.52
    glycerin 486.37
    diglyme 871.25
    acrylic acid 504.68
    isopropyl myristate 148.91
    n-butyric acid 792.8
    acetyl acetate 334.01
    di(2-ethylhexyl) phthalate 172.23
    ethyl propionate 299.82
    nitromethane 1141.01
    1,2-diethoxyethane 536.92
    benzonitrile 340.88
    trioctyl phosphate 113.2
    1-bromopropane 465.97
    gamma-valerolactone 1242.25
    n-decanol 124.72
    triethyl phosphate 131.7
    4-methyl-2-pentanol 242.81
    propionitrile 422.67
    vinylene carbonate 441.92
    1,1,2-trichlorotrifluoroethane 849.11
    DMS 308.32
    cumene 103.23
    2-octanol 123.65
    2-hexanone 444.2
    octyl acetate 196.05
    limonene 161.06
    1,2-dimethoxyethane 879.77
    ethyl orthosilicate 132.66
    tributyl phosphate 161.89
    diacetone alcohol 612.45
    N,N-dimethylaniline 241.77
    acrylonitrile 522.19
    aniline 382.19
    1,3-propanediol 594.47
    bromobenzene 345.23
    dibromomethane 688.49
    1,1,2,2-tetrachloroethane 1049.3
    2-methyl-cyclohexyl acetate 250.87
    tetrabutyl urea 212.21
    diisobutyl methanol 142.85
    2-phenylethanol 302.43
    styrene 189.67
    dioctyl adipate 250.8
    dimethyl sulfate 366.17
    ethyl butyrate 260.57
    methyl lactate 309.09
    butyl lactate 244.4
    diethyl carbonate 173.91
    propanediol butyl ether 466.63
    triethyl orthoformate 192.61
    p-tert-butyltoluene 95.33
    methyl 4-tert-butylbenzoate 282.24
    morpholine 1287.98
    tert-butylamine 583.07
    n-dodecanol 92.88
    dimethoxymethane 656.5
    ethylene carbonate 356.22
    cyrene 344.08
    2-ethoxyethyl acetate 365.55
    2-ethylhexyl acetate 317.07
    1,2,4-trichlorobenzene 365.88
    4-methylpyridine 683.95
    dibutyl ether 267.43
    2,6-dimethyl-4-heptanol 142.85
    DEF 748.48
    dimethyl isosorbide 637.61
    tetrachloroethylene 592.78
    eugenol 297.4
    triacetin 388.58
    span 80 402.88
    1,4-butanediol 239.84
    1,1-dichloroethane 724.53
    2-methyl-1-pentanol 437.24
    methyl formate 401.67
    2-methyl-1-butanol 495.41
    n-decane 23.74
    butyronitrile 525.57
    3,7-dimethyl-1-octanol 229.04
    1-chlorooctane 120.77
    1-chlorotetradecane 48.66
    n-nonane 23.96
    undecane 18.14
    tert-butylcyclohexane 65.94
    cyclooctane 25.19
    cyclopentanol 707.86
    tetrahydropyran 1030.91
    tert-amyl methyl ether 442.25
    2,5,8-trioxanonane 640.49
    1-hexene 375.52
    2-isopropoxyethanol 405.15
    2,2,2-trifluoroethanol 214.56
    methyl butyrate 429.06

    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