1-Hexen-3-ol, 3-acetate

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  • Identifiers

    CAS number
    35926-04-6

    Molecular formula
    C8H14O2

    SMILES
    CCCC(C=C)OC(=O)C

  • Odor profile

    Fragrance
    Fruity 85.03%
    Green 79.98%
    Earthy 42.3%
    Tropical 40.98%
    Fresh 36.72%
    Herbal 35.07%
    Metallic 34.25%
    Apple 33.73%
    Mushroom 32.73%
    Sweet 32.62%

     

    Flavor
    Fruity 68.96%
    Green 44.12%
    Tropical 43.28%
    Herbal 35.04%
    Sweet 34.76%
    Fresh 31.0%
    Ethereal 30.44%
    Oily 28.6%
    Fruit 26.02%
    Butter 25.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.44 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    154°C

    Flash point

    • 50.21 ˚C est.

  • Synonyms

    • 1-Hexen-3-yl acetate
    • 35926-04-6
    • hex-1-en-3-yl acetate
    • 1-Hexen-3-ol, acetate
    • 1-Hexen-3-ol, 3-acetate
    • EINECS 252-794-5
    • DTXSID60885638
    • 1-Propylallyl acetate
    • 1-HEXEN-3-OL ACETATE
    • cis-hexen-3-ylacetat
    • SCHEMBL2850328
    • DTXCID801025003
    • AKOS006274302
    • NS00057569

  • Applications

    1-Hexen-3-ol, 3-acetate (CAS 35926-04-6) is commonly used as a fragrance ingredient and a flavor precursor, contributing green, fresh notes to perfumery and taste formulations. It is also evaluated for cosmetics/personal care and household products as a fragrance component or odorant, and it serves as an intermediate in industrial manufacturing and organic synthesis, with potential applications in coatings and specialty polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 385.64
    methanol 561.3
    isopropanol 369.06
    water 1.4
    ethyl acetate 224.37
    n-propanol 333.19
    acetone 386.86
    n-butanol 334.26
    acetonitrile 265.45
    DMF 623.92
    toluene 166.23
    isobutanol 297.23
    1,4-dioxane 499.27
    methyl acetate 248.79
    THF 659.8
    2-butanone 300.48
    n-pentanol 266.29
    sec-butanol 348.01
    n-hexane 101.92
    ethylene glycol 117.32
    NMP 702.17
    cyclohexane 131.52
    DMSO 606.0
    n-butyl acetate 283.8
    n-octanol 224.46
    chloroform 783.49
    n-propyl acetate 160.61
    acetic acid 345.55
    dichloromethane 728.22
    cyclohexanone 527.02
    propylene glycol 174.2
    isopropyl acetate 152.96
    DMAc 574.6
    2-ethoxyethanol 254.54
    isopentanol 296.22
    n-heptane 71.96
    ethyl formate 197.61
    1,2-dichloroethane 378.94
    n-hexanol 404.14
    2-methoxyethanol 422.89
    isobutyl acetate 124.74
    tetrachloromethane 121.4
    n-pentyl acetate 184.71
    transcutol 692.94
    n-heptanol 162.06
    ethylbenzene 146.42
    MIBK 180.19
    2-propoxyethanol 415.87
    tert-butanol 473.64
    MTBE 313.83
    2-butoxyethanol 200.39
    propionic acid 275.07
    o-xylene 157.21
    formic acid 98.31
    diethyl ether 252.36
    m-xylene 153.19
    p-xylene 179.44
    chlorobenzene 256.92
    dimethyl carbonate 97.76
    n-octane 33.64
    formamide 104.4
    cyclopentanone 546.4
    2-pentanone 249.28
    anisole 232.96
    cyclopentyl methyl ether 327.9
    gamma-butyrolactone 561.05
    1-methoxy-2-propanol 347.49
    pyridine 355.82
    3-pentanone 207.14
    furfural 500.71
    n-dodecane 36.49
    diethylene glycol 299.03
    diisopropyl ether 95.24
    tert-amyl alcohol 417.08
    acetylacetone 267.57
    n-hexadecane 40.32
    acetophenone 228.75
    methyl propionate 204.85
    isopentyl acetate 257.63
    trichloroethylene 676.22
    n-nonanol 188.87
    cyclohexanol 377.0
    benzyl alcohol 210.11
    2-ethylhexanol 240.66
    isooctanol 136.27
    dipropyl ether 194.83
    1,2-dichlorobenzene 267.93
    ethyl lactate 121.17
    propylene carbonate 341.66
    n-methylformamide 230.16
    2-pentanol 248.34
    n-pentane 87.99
    1-propoxy-2-propanol 315.72
    1-methoxy-2-propyl acetate 236.33
    2-(2-methoxypropoxy) propanol 300.45
    mesitylene 114.18
    ε-caprolactone 428.61
    p-cymene 118.09
    epichlorohydrin 518.63
    1,1,1-trichloroethane 388.0
    2-aminoethanol 196.12
    morpholine-4-carbaldehyde 540.13
    sulfolane 778.46
    2,2,4-trimethylpentane 53.53
    2-methyltetrahydrofuran 510.6
    n-hexyl acetate 323.89
    isooctane 39.93
    2-(2-butoxyethoxy)ethanol 326.2
    sec-butyl acetate 120.21
    tert-butyl acetate 192.4
    decalin 76.2
    glycerin 206.97
    diglyme 471.62
    acrylic acid 236.11
    isopropyl myristate 148.7
    n-butyric acid 329.44
    acetyl acetate 162.09
    di(2-ethylhexyl) phthalate 163.43
    ethyl propionate 158.18
    nitromethane 400.14
    1,2-diethoxyethane 253.27
    benzonitrile 288.76
    trioctyl phosphate 123.67
    1-bromopropane 302.94
    gamma-valerolactone 601.81
    n-decanol 146.91
    triethyl phosphate 125.36
    4-methyl-2-pentanol 154.98
    propionitrile 254.39
    vinylene carbonate 327.29
    1,1,2-trichlorotrifluoroethane 363.04
    DMS 216.46
    cumene 120.75
    2-octanol 141.41
    2-hexanone 219.13
    octyl acetate 190.42
    limonene 191.09
    1,2-dimethoxyethane 479.11
    ethyl orthosilicate 116.24
    tributyl phosphate 147.12
    diacetone alcohol 256.96
    N,N-dimethylaniline 199.75
    acrylonitrile 282.5
    aniline 193.29
    1,3-propanediol 252.81
    bromobenzene 291.59
    dibromomethane 512.33
    1,1,2,2-tetrachloroethane 568.66
    2-methyl-cyclohexyl acetate 216.91
    tetrabutyl urea 197.89
    diisobutyl methanol 129.29
    2-phenylethanol 242.72
    styrene 168.01
    dioctyl adipate 224.49
    dimethyl sulfate 196.26
    ethyl butyrate 197.44
    methyl lactate 152.03
    butyl lactate 172.4
    diethyl carbonate 149.65
    propanediol butyl ether 250.13
    triethyl orthoformate 143.38
    p-tert-butyltoluene 115.15
    methyl 4-tert-butylbenzoate 250.87
    morpholine 527.57
    tert-butylamine 329.31
    n-dodecanol 119.77
    dimethoxymethane 310.82
    ethylene carbonate 253.08
    cyrene 243.87
    2-ethoxyethyl acetate 213.28
    2-ethylhexyl acetate 205.43
    1,2,4-trichlorobenzene 306.93
    4-methylpyridine 404.06
    dibutyl ether 210.19
    2,6-dimethyl-4-heptanol 129.29
    DEF 321.47
    dimethyl isosorbide 447.65
    tetrachloroethylene 350.63
    eugenol 236.68
    triacetin 284.22
    span 80 296.47
    1,4-butanediol 144.61
    1,1-dichloroethane 405.82
    2-methyl-1-pentanol 273.9
    methyl formate 201.05
    2-methyl-1-butanol 303.15
    n-decane 51.55
    butyronitrile 306.2
    3,7-dimethyl-1-octanol 218.65
    1-chlorooctane 153.35
    1-chlorotetradecane 79.33
    n-nonane 52.37
    undecane 42.61
    tert-butylcyclohexane 77.11
    cyclooctane 44.66
    cyclopentanol 388.04
    tetrahydropyran 493.31
    tert-amyl methyl ether 255.91
    2,5,8-trioxanonane 416.67
    1-hexene 229.51
    2-isopropoxyethanol 200.79
    2,2,2-trifluoroethanol 94.77
    methyl butyrate 225.2

    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