3-Hexen-1-ol, 1-formate, (3E)-

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  • Identifiers

    CAS number
    56922-80-6

    Molecular formula
    C7H12O2

    SMILES
    CC/C=C/CCOC=O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 95.97%
    Fruity 89.96%
    Apple 73.27%
    Fresh 70.46%
    Sweet 59.3%
    Vegetable 56.98%
    Leafy 55.11%
    Melon 54.93%
    Tropical 54.73%
    Waxy 51.01%

     

    Flavor
    Green 90.2%
    Fresh 66.2%
    Waxy 52.12%
    Apple 51.97%
    Sweet 51.88%
    Grassy 46.76%
    Vegetable 45.24%
    Fruity 43.9%
    Fatty 40.84%
    Cucumber 38.77%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.8 (neutral)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    160°C

    Flash point

    • 53.64 ˚C est.

    Solubility expt.

    • soluble in alcohol, propylene glycol, most fixed oils; practically insoluble in water

  • Synonyms

    • 3-Hexen-1-ol, formate
    • [(E)-hex-3-enyl] formate
    • (E)-Hex-3-enyl formate
    • 56922-80-6
    • cis-3-Hexenyl formate
    • 3-Hexen-1-ol, formate, (3E)-
    • 3-hexenyl formate
    • trans-3-Hexen-1-ol formate
    • Hex-3-enyl formate
    • 3-Hexen-1-ol, formate, (E)-
    • EINECS 260-442-7
    • 3-Hexen-1-ol, 1-formate, (3E)-
    • DTXSID701014970
    • EINECS 219-017-1
    • 33467-73-1
    • 2315-09-5
    • trans-3-Hexenyl formate
    • SCHEMBL97285
    • (E)-hex-3-en-1-yl formate
    • DTXCID20210245
    • AKOS015903008
    • AS-77373
    • DB-248425
    • NS00086924
    • 219-017-1
    • 260-442-7

  • Applications

    3-Hexen-1-ol, 1-formate, (3E)-, CAS number: 56922-80-6, is primarily used as a fragrance ingredient/odorant, providing green, fresh notes and often acting as an intermediate in the synthesis of aroma compounds; in cosmetics and personal care, as well as in household products such as cleaners and air fresheners, it is used to impart a natural scent; it may also serve as an intermediate in fragrance synthesis and can be evaluated for applications in coatings, inks, and polymer formulations where a fragrance note is desired; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1216.55
    methanol 1468.24
    isopropanol 692.32
    water 0.59
    ethyl acetate 943.0
    n-propanol 736.73
    acetone 1990.91
    n-butanol 635.82
    acetonitrile 822.39
    DMF 2156.56
    toluene 266.45
    isobutanol 470.39
    1,4-dioxane 1031.1
    methyl acetate 729.29
    THF 1894.95
    2-butanone 1056.73
    n-pentanol 430.06
    sec-butanol 498.42
    n-hexane 92.22
    ethylene glycol 233.66
    NMP 1705.6
    cyclohexane 102.03
    DMSO 3369.09
    n-butyl acetate 587.97
    n-octanol 145.79
    chloroform 1244.52
    n-propyl acetate 547.2
    acetic acid 1328.15
    dichloromethane 1526.04
    cyclohexanone 1275.61
    propylene glycol 287.71
    isopropyl acetate 449.42
    DMAc 908.01
    2-ethoxyethanol 624.73
    isopentanol 480.26
    n-heptane 40.64
    ethyl formate 435.1
    1,2-dichloroethane 1277.24
    n-hexanol 415.73
    2-methoxyethanol 1210.74
    isobutyl acetate 295.82
    tetrachloromethane 210.34
    n-pentyl acetate 272.32
    transcutol 2566.18
    n-heptanol 131.38
    ethylbenzene 136.47
    MIBK 404.29
    2-propoxyethanol 690.59
    tert-butanol 789.58
    MTBE 633.46
    2-butoxyethanol 301.72
    propionic acid 767.93
    o-xylene 152.51
    formic acid 391.47
    diethyl ether 774.65
    m-xylene 193.84
    p-xylene 169.26
    chlorobenzene 453.25
    dimethyl carbonate 243.93
    n-octane 14.17
    formamide 604.05
    cyclopentanone 1838.56
    2-pentanone 889.86
    anisole 339.66
    cyclopentyl methyl ether 889.31
    gamma-butyrolactone 1896.81
    1-methoxy-2-propanol 831.71
    pyridine 1014.91
    3-pentanone 577.76
    furfural 1111.54
    n-dodecane 11.85
    diethylene glycol 562.69
    diisopropyl ether 169.95
    tert-amyl alcohol 558.8
    acetylacetone 888.33
    n-hexadecane 13.77
    acetophenone 330.01
    methyl propionate 700.45
    isopentyl acetate 481.33
    trichloroethylene 2113.73
    n-nonanol 121.12
    cyclohexanol 532.12
    benzyl alcohol 299.74
    2-ethylhexanol 221.76
    isooctanol 107.74
    dipropyl ether 289.91
    1,2-dichlorobenzene 404.34
    ethyl lactate 204.92
    propylene carbonate 734.6
    n-methylformamide 974.27
    2-pentanol 399.89
    n-pentane 67.48
    1-propoxy-2-propanol 477.84
    1-methoxy-2-propyl acetate 491.55
    2-(2-methoxypropoxy) propanol 360.18
    mesitylene 130.13
    ε-caprolactone 910.59
    p-cymene 94.38
    epichlorohydrin 1680.11
    1,1,1-trichloroethane 909.91
    2-aminoethanol 462.4
    morpholine-4-carbaldehyde 1095.32
    sulfolane 2421.38
    2,2,4-trimethylpentane 36.29
    2-methyltetrahydrofuran 1434.24
    n-hexyl acetate 393.53
    isooctane 30.59
    2-(2-butoxyethoxy)ethanol 523.22
    sec-butyl acetate 319.41
    tert-butyl acetate 528.29
    decalin 54.19
    glycerin 382.06
    diglyme 895.47
    acrylic acid 665.96
    isopropyl myristate 129.22
    n-butyric acid 964.68
    acetyl acetate 462.26
    di(2-ethylhexyl) phthalate 142.89
    ethyl propionate 421.07
    nitromethane 1890.62
    1,2-diethoxyethane 644.96
    benzonitrile 389.95
    trioctyl phosphate 95.49
    1-bromopropane 661.0
    gamma-valerolactone 1557.65
    n-decanol 89.32
    triethyl phosphate 158.08
    4-methyl-2-pentanol 197.32
    propionitrile 599.19
    vinylene carbonate 597.07
    1,1,2-trichlorotrifluoroethane 1070.45
    DMS 353.85
    cumene 96.93
    2-octanol 94.67
    2-hexanone 572.05
    octyl acetate 165.4
    limonene 157.57
    1,2-dimethoxyethane 903.82
    ethyl orthosilicate 152.24
    tributyl phosphate 142.82
    diacetone alcohol 603.99
    N,N-dimethylaniline 221.97
    acrylonitrile 824.39
    aniline 400.2
    1,3-propanediol 601.08
    bromobenzene 479.16
    dibromomethane 1006.48
    1,1,2,2-tetrachloroethane 1483.79
    2-methyl-cyclohexyl acetate 264.64
    tetrabutyl urea 186.49
    diisobutyl methanol 136.35
    2-phenylethanol 285.02
    styrene 202.59
    dioctyl adipate 227.42
    dimethyl sulfate 494.96
    ethyl butyrate 358.51
    methyl lactate 321.38
    butyl lactate 243.83
    diethyl carbonate 224.06
    propanediol butyl ether 369.14
    triethyl orthoformate 229.75
    p-tert-butyltoluene 95.61
    methyl 4-tert-butylbenzoate 260.03
    morpholine 1486.97
    tert-butylamine 466.43
    n-dodecanol 67.78
    dimethoxymethane 798.28
    ethylene carbonate 466.62
    cyrene 334.54
    2-ethoxyethyl acetate 439.96
    2-ethylhexyl acetate 355.68
    1,2,4-trichlorobenzene 478.54
    4-methylpyridine 806.76
    dibutyl ether 243.96
    2,6-dimethyl-4-heptanol 136.35
    DEF 943.46
    dimethyl isosorbide 601.62
    tetrachloroethylene 952.43
    eugenol 277.93
    triacetin 371.28
    span 80 329.57
    1,4-butanediol 227.37
    1,1-dichloroethane 1092.83
    2-methyl-1-pentanol 357.24
    methyl formate 579.96
    2-methyl-1-butanol 437.44
    n-decane 19.82
    butyronitrile 613.29
    3,7-dimethyl-1-octanol 173.78
    1-chlorooctane 108.57
    1-chlorotetradecane 42.47
    n-nonane 20.2
    undecane 14.77
    tert-butylcyclohexane 51.72
    cyclooctane 30.54
    cyclopentanol 699.83
    tetrahydropyran 1295.08
    tert-amyl methyl ether 410.71
    2,5,8-trioxanonane 615.08
    1-hexene 321.3
    2-isopropoxyethanol 418.34
    2,2,2-trifluoroethanol 306.79
    methyl butyrate 590.97

    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