(Z)-2-(3-Hexenyloxy)tetrahydro-2H-pyran

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  • Identifiers

    CAS number
    90879-06-4

    Molecular formula
    C11H20O2

    SMILES
    CC/C=C\CCOC1CCCCO1

    Safety labels

  • Odor profile

    Fragrance
    Green 91.54%
    Fresh 56.27%
    Fruity 55.11%
    Herbal 50.01%
    Apple 45.71%
    Leafy 45.62%
    Vegetable 44.06%
    Sweet 41.22%
    Floral 38.53%
    Fatty 38.18%

     

    Flavor
    Green 52.78%
    Tropical 35.28%
    Fresh 33.46%
    Fruity 30.01%
    Fatty 29.45%
    Oily 28.97%
    Metallic 27.34%
    Vegetable 27.08%
    Floral 26.1%
    Melon 25.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.25 (neutral)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 93.56 ˚C est.

  • Synonyms

    • (Z)-2-(3-Hexenyloxy)tetrahydro-2H-pyran
    • 90879-06-4
    • EINECS 292-684-4
    • SHZPEANSFIKVFI-ARJAWSKDSA-N
    • DTXSID601264106
    • 2-{[(3Z)-Hex-3-en-1-yl]oxy}oxane
    • NS00064949
    • 2-[(3Z)-3-Hexen-1-yloxy]tetrahydro-2H-pyran
    • 90879-06-4

  • Applications

    (Z)-2-(3-Hexenyloxy)tetrahydro-2H-pyran (CAS 90879-06-4) finds practical use mainly in fragrance and cosmetics: commonly evaluated as an odorant or fragrance intermediate for synthesis of aroma compounds; in personal care and household products it may be used as a fragrance ingredient or additive in soaps, detergents, and skincare formulations; in industrial manufacturing it may serve as a chemical intermediate in fragrance-related materials; in polymers, coatings, and inks it could be used as a processing aid or modifier to influence formulation properties and scent profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1968.55
    methanol 1429.38
    isopropanol 1520.5
    water 0.16
    ethyl acetate 2792.58
    n-propanol 1521.91
    acetone 1960.61
    n-butanol 1756.78
    acetonitrile 1914.93
    DMF 758.37
    toluene 1420.51
    isobutanol 1197.0
    1,4-dioxane 3077.69
    methyl acetate 1526.91
    THF 3380.5
    2-butanone 1771.76
    n-pentanol 1322.56
    sec-butanol 1542.21
    n-hexane 998.49
    ethylene glycol 155.3
    NMP 780.29
    cyclohexane 1566.53
    DMSO 2332.76
    n-butyl acetate 2261.78
    n-octanol 651.54
    chloroform 6009.69
    n-propyl acetate 1646.02
    acetic acid 1439.89
    dichloromethane 6282.85
    cyclohexanone 2374.28
    propylene glycol 262.94
    isopropyl acetate 1655.49
    DMAc 800.07
    2-ethoxyethanol 1246.52
    isopentanol 1609.73
    n-heptane 587.0
    ethyl formate 924.98
    1,2-dichloroethane 3786.47
    n-hexanol 1642.47
    2-methoxyethanol 1460.85
    isobutyl acetate 943.65
    tetrachloromethane 1076.14
    n-pentyl acetate 1161.12
    transcutol 4909.24
    n-heptanol 537.84
    ethylbenzene 658.53
    MIBK 1113.39
    2-propoxyethanol 1576.56
    tert-butanol 1927.36
    MTBE 2399.1
    2-butoxyethanol 799.14
    propionic acid 951.91
    o-xylene 702.26
    formic acid 219.85
    diethyl ether 4149.52
    m-xylene 818.07
    p-xylene 767.33
    chlorobenzene 1549.8
    dimethyl carbonate 360.78
    n-octane 180.82
    formamide 300.2
    cyclopentanone 1759.09
    2-pentanone 1856.51
    anisole 966.51
    cyclopentyl methyl ether 2153.52
    gamma-butyrolactone 1657.86
    1-methoxy-2-propanol 1259.28
    pyridine 2356.38
    3-pentanone 1357.33
    furfural 1315.54
    n-dodecane 117.98
    diethylene glycol 783.54
    diisopropyl ether 1071.03
    tert-amyl alcohol 1564.44
    acetylacetone 1553.14
    n-hexadecane 136.42
    acetophenone 813.45
    methyl propionate 1293.73
    isopentyl acetate 1684.29
    trichloroethylene 5116.85
    n-nonanol 573.84
    cyclohexanol 1727.7
    benzyl alcohol 715.56
    2-ethylhexanol 1081.25
    isooctanol 483.0
    dipropyl ether 1840.24
    1,2-dichlorobenzene 1263.0
    ethyl lactate 416.13
    propylene carbonate 1115.49
    n-methylformamide 456.64
    2-pentanol 1554.09
    n-pentane 878.8
    1-propoxy-2-propanol 1342.76
    1-methoxy-2-propyl acetate 1278.1
    2-(2-methoxypropoxy) propanol 790.85
    mesitylene 525.23
    ε-caprolactone 2056.93
    p-cymene 443.67
    epichlorohydrin 2683.47
    1,1,1-trichloroethane 3185.99
    2-aminoethanol 412.68
    morpholine-4-carbaldehyde 1144.08
    sulfolane 1644.08
    2,2,4-trimethylpentane 279.47
    2-methyltetrahydrofuran 3280.4
    n-hexyl acetate 1439.53
    isooctane 234.21
    2-(2-butoxyethoxy)ethanol 1161.63
    sec-butyl acetate 1093.94
    tert-butyl acetate 1443.3
    decalin 429.7
    glycerin 314.48
    diglyme 2044.28
    acrylic acid 639.49
    isopropyl myristate 524.76
    n-butyric acid 1992.15
    acetyl acetate 1399.31
    di(2-ethylhexyl) phthalate 378.92
    ethyl propionate 1247.39
    nitromethane 1589.38
    1,2-diethoxyethane 2700.01
    benzonitrile 1141.07
    trioctyl phosphate 287.14
    1-bromopropane 3433.64
    gamma-valerolactone 1735.36
    n-decanol 411.43
    triethyl phosphate 460.03
    4-methyl-2-pentanol 797.1
    propionitrile 1509.14
    vinylene carbonate 918.07
    1,1,2-trichlorotrifluoroethane 1417.96
    DMS 755.99
    cumene 411.17
    2-octanol 426.62
    2-hexanone 1387.61
    octyl acetate 607.09
    limonene 770.06
    1,2-dimethoxyethane 2067.13
    ethyl orthosilicate 502.67
    tributyl phosphate 428.03
    diacetone alcohol 944.64
    N,N-dimethylaniline 569.12
    acrylonitrile 1238.36
    aniline 1167.67
    1,3-propanediol 749.62
    bromobenzene 1977.68
    dibromomethane 5132.89
    1,1,2,2-tetrachloroethane 4081.62
    2-methyl-cyclohexyl acetate 839.09
    tetrabutyl urea 480.48
    diisobutyl methanol 565.02
    2-phenylethanol 781.37
    styrene 912.21
    dioctyl adipate 678.4
    dimethyl sulfate 461.92
    ethyl butyrate 1471.88
    methyl lactate 382.88
    butyl lactate 605.13
    diethyl carbonate 822.27
    propanediol butyl ether 678.67
    triethyl orthoformate 898.64
    p-tert-butyltoluene 414.39
    methyl 4-tert-butylbenzoate 612.8
    morpholine 3170.86
    tert-butylamine 1539.41
    n-dodecanol 319.33
    dimethoxymethane 1227.89
    ethylene carbonate 921.09
    cyrene 497.95
    2-ethoxyethyl acetate 1271.13
    2-ethylhexyl acetate 1358.74
    1,2,4-trichlorobenzene 1337.09
    4-methylpyridine 2166.6
    dibutyl ether 1585.95
    2,6-dimethyl-4-heptanol 565.02
    DEF 1519.6
    dimethyl isosorbide 1099.71
    tetrachloroethylene 2676.84
    eugenol 559.03
    triacetin 1001.78
    span 80 793.7
    1,4-butanediol 333.88
    1,1-dichloroethane 3756.28
    2-methyl-1-pentanol 1203.71
    methyl formate 357.13
    2-methyl-1-butanol 1446.75
    n-decane 214.82
    butyronitrile 2032.91
    3,7-dimethyl-1-octanol 712.25
    1-chlorooctane 684.24
    1-chlorotetradecane 254.29
    n-nonane 243.54
    undecane 149.97
    tert-butylcyclohexane 340.41
    cyclooctane 477.85
    cyclopentanol 1172.21
    tetrahydropyran 4313.65
    tert-amyl methyl ether 1489.45
    2,5,8-trioxanonane 1319.99
    1-hexene 2099.06
    2-isopropoxyethanol 970.69
    2,2,2-trifluoroethanol 287.93
    methyl butyrate 1621.26

    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