((3Z)-3-Hexen-1-yloxy)acetaldehyde

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  • Identifiers

    CAS number
    68133-72-2

    Molecular formula
    C8H14O2

    SMILES
    CC/C=C\CCOCC=O

  • Odor profile

    Fragrance
    Green 95.62%
    Fresh 74.86%
    Vegetable 60.76%
    Leafy 59.77%
    Melon 58.6%
    Fruity 54.68%
    Fatty 53.8%
    Waxy 52.69%
    Cucumber 51.7%
    Floral 47.2%

     

    Flavor
    Green 79.82%
    Vegetable 48.09%
    Fatty 45.87%
    Fresh 43.6%
    Fruity 37.25%
    Grassy 35.51%
    Melon 31.56%
    Earthy 30.52%
    Oily 30.22%
    Waxy 29.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.51 (neutral)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 81.59 ˚C est.

  • Synonyms

    • Cis-3-hexenyl oxy-acetaldehyde
    • 68133-72-2
    • Cis-3-hexenyloxy-acetaldehyde
    • [(3Z)-3-Hexen-1-yloxy]acetaldehyde
    • ((3Z)-3-Hexen-1-yloxy)acetaldehyde
    • Acetaldehyde, [(3Z)-3-hexenyloxy]-
    • ACETALDEHYDE,[(3Z)-3-HEXENYLOXY]-
    • SCHEMBL22390234
    • DTXSID40887175
    • WNAJHTHKGZCCGS-ARJAWSKDSA-N
    • 2-[(Z)-hex-3-enoxy]acetaldehyde
    • AKOS006274808
    • NS00012587

  • Applications

    Chemical name: ((3Z)-3-Hexen-1-yloxy)acetaldehyde; CAS number: 68133-72-2. This compound is primarily used as a fragrance intermediate and aroma-building block, with the cis-3-hexenyl ether moiety contributing green, leafy notes in perfumery and flavor formulations. It is commonly evaluated for use in cosmetics/personal care as a fragrance ingredient, and may be incorporated into household cleaners and air freshener products for scent delivery. In industrial manufacturing, it can function as a reactive aldehyde intermediate for synthesis of more complex fragrance compounds or functionalized polymers; the ether/aldehyde functionality also enables further chemical modification in coatings/inks and specialty materials. Use is subject to formulations, regulatory constraints, and local limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 823.3
    methanol 1078.96
    isopropanol 463.27
    water 0.82
    ethyl acetate 477.05
    n-propanol 530.96
    acetone 779.05
    n-butanol 467.85
    acetonitrile 462.17
    DMF 713.25
    toluene 135.32
    isobutanol 338.12
    1,4-dioxane 782.89
    methyl acetate 414.4
    THF 934.82
    2-butanone 450.27
    n-pentanol 295.49
    sec-butanol 351.27
    n-hexane 70.55
    ethylene glycol 226.24
    NMP 547.16
    cyclohexane 144.9
    DMSO 1523.08
    n-butyl acetate 359.0
    n-octanol 99.7
    chloroform 954.31
    n-propyl acetate 284.6
    acetic acid 808.56
    dichloromethane 1010.58
    cyclohexanone 620.22
    propylene glycol 250.63
    isopropyl acetate 232.21
    DMAc 412.41
    2-ethoxyethanol 478.58
    isopentanol 326.68
    n-heptane 56.17
    ethyl formate 251.61
    1,2-dichloroethane 793.39
    n-hexanol 339.1
    2-methoxyethanol 851.92
    isobutyl acetate 165.05
    tetrachloromethane 170.42
    n-pentyl acetate 143.69
    transcutol 1569.73
    n-heptanol 92.02
    ethylbenzene 75.57
    MIBK 187.66
    2-propoxyethanol 513.61
    tert-butanol 569.87
    MTBE 359.85
    2-butoxyethanol 209.59
    propionic acid 436.25
    o-xylene 91.42
    formic acid 239.97
    diethyl ether 510.46
    m-xylene 101.47
    p-xylene 95.38
    chlorobenzene 239.07
    dimethyl carbonate 97.08
    n-octane 15.51
    formamide 279.15
    cyclopentanone 641.76
    2-pentanone 371.08
    anisole 185.31
    cyclopentyl methyl ether 433.67
    gamma-butyrolactone 689.56
    1-methoxy-2-propanol 501.2
    pyridine 550.71
    3-pentanone 254.1
    furfural 558.64
    n-dodecane 12.65
    diethylene glycol 472.18
    diisopropyl ether 102.5
    tert-amyl alcohol 350.16
    acetylacetone 383.66
    n-hexadecane 14.24
    acetophenone 176.42
    methyl propionate 316.42
    isopentyl acetate 282.7
    trichloroethylene 1160.08
    n-nonanol 88.95
    cyclohexanol 415.61
    benzyl alcohol 190.05
    2-ethylhexanol 179.97
    isooctanol 78.21
    dipropyl ether 258.45
    1,2-dichlorobenzene 223.87
    ethyl lactate 133.59
    propylene carbonate 339.27
    n-methylformamide 372.3
    2-pentanol 263.87
    n-pentane 73.28
    1-propoxy-2-propanol 368.09
    1-methoxy-2-propyl acetate 310.1
    2-(2-methoxypropoxy) propanol 246.94
    mesitylene 74.55
    ε-caprolactone 468.23
    p-cymene 70.58
    epichlorohydrin 795.73
    1,1,1-trichloroethane 539.65
    2-aminoethanol 352.54
    morpholine-4-carbaldehyde 573.15
    sulfolane 839.1
    2,2,4-trimethylpentane 29.18
    2-methyltetrahydrofuran 678.82
    n-hexyl acetate 210.49
    isooctane 22.71
    2-(2-butoxyethoxy)ethanol 336.52
    sec-butyl acetate 166.82
    tert-butyl acetate 245.15
    decalin 44.08
    glycerin 312.74
    diglyme 634.93
    acrylic acid 344.48
    isopropyl myristate 85.55
    n-butyric acid 579.55
    acetyl acetate 271.25
    di(2-ethylhexyl) phthalate 89.84
    ethyl propionate 217.5
    nitromethane 904.6
    1,2-diethoxyethane 480.73
    benzonitrile 228.41
    trioctyl phosphate 62.52
    1-bromopropane 471.91
    gamma-valerolactone 677.55
    n-decanol 68.13
    triethyl phosphate 115.21
    4-methyl-2-pentanol 128.74
    propionitrile 354.91
    vinylene carbonate 297.4
    1,1,2-trichlorotrifluoroethane 638.05
    DMS 200.32
    cumene 57.51
    2-octanol 58.35
    2-hexanone 261.28
    octyl acetate 105.09
    limonene 126.0
    1,2-dimethoxyethane 632.28
    ethyl orthosilicate 116.92
    tributyl phosphate 92.05
    diacetone alcohol 280.7
    N,N-dimethylaniline 121.14
    acrylonitrile 415.51
    aniline 233.86
    1,3-propanediol 458.54
    bromobenzene 243.54
    dibromomethane 734.41
    1,1,2,2-tetrachloroethane 904.2
    2-methyl-cyclohexyl acetate 174.17
    tetrabutyl urea 118.58
    diisobutyl methanol 108.21
    2-phenylethanol 188.24
    styrene 108.25
    dioctyl adipate 146.31
    dimethyl sulfate 187.03
    ethyl butyrate 245.46
    methyl lactate 164.81
    butyl lactate 140.43
    diethyl carbonate 161.78
    propanediol butyl ether 208.25
    triethyl orthoformate 175.76
    p-tert-butyltoluene 69.89
    methyl 4-tert-butylbenzoate 151.02
    morpholine 960.1
    tert-butylamine 347.67
    n-dodecanol 55.64
    dimethoxymethane 397.46
    ethylene carbonate 250.76
    cyrene 201.68
    2-ethoxyethyl acetate 231.11
    2-ethylhexyl acetate 210.18
    1,2,4-trichlorobenzene 259.38
    4-methylpyridine 385.65
    dibutyl ether 180.28
    2,6-dimethyl-4-heptanol 108.21
    DEF 428.05
    dimethyl isosorbide 368.19
    tetrachloroethylene 622.8
    eugenol 163.31
    triacetin 231.29
    span 80 225.73
    1,4-butanediol 183.91
    1,1-dichloroethane 625.69
    2-methyl-1-pentanol 228.01
    methyl formate 252.86
    2-methyl-1-butanol 305.42
    n-decane 20.82
    butyronitrile 361.14
    3,7-dimethyl-1-octanol 123.24
    1-chlorooctane 80.23
    1-chlorotetradecane 34.76
    n-nonane 21.78
    undecane 15.56
    tert-butylcyclohexane 38.66
    cyclooctane 37.66
    cyclopentanol 415.33
    tetrahydropyran 821.4
    tert-amyl methyl ether 229.44
    2,5,8-trioxanonane 444.01
    1-hexene 201.42
    2-isopropoxyethanol 289.59
    2,2,2-trifluoroethanol 183.46
    methyl butyrate 299.19

    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