Jasmolactone extra C

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  • Identifiers

    CAS number
    68959-28-4

    Molecular formula
    C11H18O2

    SMILES
    CC/C=C/CCC1CCCC(=O)O1

  • Odor profile

    Fruity 84.72%
    Fatty 72.55%
    Coconut 70.44%
    Creamy 69.95%
    Peach 68.76%
    Sweet 64.24%
    Buttery 62.44%
    Waxy 62.42%
    Dairy 60.61%
    Floral 60.27%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    288°C

    Flash point est.
    111.91 ˚C

    Solubility expt.

    • insoluble in water; soluble in fat

  • Synonyms

    • 68959-28-4
    • 6-[(E)-hex-3-enyl]oxan-2-one
    • 6-(Hex-3-en-1-yl)tetrahydro-2H-pyran-2-one
    • (E)-6-(Hex-3-en-1-yl)tetrahydro-2H-pyran-2-one
    • 32764-99-1
    • JASMOLACTONE EXTRA C
    • 259210-34-9
    • FEMA 3758
    • 6-(hex-3-en-1-yl)oxan-2-one
    • 6-hex-3-enyloxan-2-one
    • SCHEMBL3504628
    • CHEBI:167500
    • CHEBI:167501
    • AKOS006274559
    • 6-[(3E)-hex-3-en-1-yl]oxan-2-one
    • 5-hydroxyundec-8-enoic acid delta-lactone
    • NS00012593
    • (E)-6-(3-hexenyl)tetrahydro-2H-pyran-2-one
    • trans-6-(3-hexenyl)tetrahydro-2H-pyran-2-one
    • (3E)-6-(3-hexenyl)tetrahydro-2H-pyran-2-one
    • (8E)-5-hydroxy-8-undecenoic acid delta-lactone
    • (8E)-5-hydroxyundec-8-enoic acid delta-lactone
    • (3E)-6-(hex-3-en-1-yl)tetrahydro-2H-pyran-2-one
    • 6-[(3E)-hex-3-en-1-yl]tetrahydro-2H-pyran-2-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1365.41
    methanol 1365.96
    isopropanol 1003.33
    water 0.12
    ethyl acetate 1268.69
    n-propanol 944.66
    acetone 2038.16
    n-butanol 900.7
    acetonitrile 1244.78
    DMF 1585.61
    toluene 634.82
    isobutanol 659.5
    1,4-dioxane 1529.35
    methyl acetate 893.13
    THF 2085.07
    2-butanone 1289.57
    n-pentanol 663.94
    sec-butanol 729.32
    n-hexane 153.7
    ethylene glycol 148.87
    NMP 1197.41
    cyclohexane 177.42
    DMSO 2709.03
    n-butyl acetate 928.82
    n-octanol 247.4
    chloroform 3062.14
    n-propyl acetate 698.74
    acetic acid 958.49
    dichloromethane 2784.69
    cyclohexanone 1578.49
    propylene glycol 261.39
    isopropyl acetate 763.99
    DMAc 1073.88
    2-ethoxyethanol 709.9
    isopentanol 787.74
    n-heptane 46.72
    ethyl formate 521.42
    1,2-dichloroethane 1785.55
    n-hexanol 646.47
    2-methoxyethanol 1106.2
    isobutyl acetate 456.14
    tetrachloromethane 284.18
    n-pentyl acetate 478.55
    transcutol 4335.57
    n-heptanol 203.55
    ethylbenzene 278.67
    MIBK 636.09
    2-propoxyethanol 939.71
    tert-butanol 1054.85
    MTBE 1091.14
    2-butoxyethanol 444.0
    propionic acid 710.45
    o-xylene 307.71
    formic acid 210.52
    diethyl ether 1414.62
    m-xylene 392.62
    p-xylene 314.28
    chlorobenzene 828.9
    dimethyl carbonate 283.09
    n-octane 19.77
    formamide 338.2
    cyclopentanone 1617.37
    2-pentanone 1176.24
    anisole 576.8
    cyclopentyl methyl ether 1006.71
    gamma-butyrolactone 1551.3
    1-methoxy-2-propanol 970.46
    pyridine 1515.33
    3-pentanone 743.41
    furfural 1132.69
    n-dodecane 18.95
    diethylene glycol 592.4
    diisopropyl ether 331.47
    tert-amyl alcohol 774.0
    acetylacetone 1105.85
    n-hexadecane 22.89
    acetophenone 504.43
    methyl propionate 833.51
    isopentyl acetate 775.0
    trichloroethylene 2822.21
    n-nonanol 211.92
    cyclohexanol 788.97
    benzyl alcohol 480.38
    2-ethylhexanol 352.89
    isooctanol 182.12
    dipropyl ether 441.28
    1,2-dichlorobenzene 669.86
    ethyl lactate 239.03
    propylene carbonate 766.68
    n-methylformamide 697.06
    2-pentanol 605.26
    n-pentane 105.36
    1-propoxy-2-propanol 689.25
    1-methoxy-2-propyl acetate 745.3
    2-(2-methoxypropoxy) propanol 585.8
    mesitylene 233.83
    ε-caprolactone 1182.52
    p-cymene 148.14
    epichlorohydrin 1849.32
    1,1,1-trichloroethane 1336.86
    2-aminoethanol 384.18
    morpholine-4-carbaldehyde 1086.65
    sulfolane 1726.57
    2,2,4-trimethylpentane 56.58
    2-methyltetrahydrofuran 1585.5
    n-hexyl acetate 680.47
    isooctane 51.55
    2-(2-butoxyethoxy)ethanol 860.4
    sec-butyl acetate 480.15
    tert-butyl acetate 735.71
    decalin 90.72
    glycerin 329.31
    diglyme 1364.02
    acrylic acid 530.45
    isopropyl myristate 231.76
    n-butyric acid 1110.91
    acetyl acetate 660.57
    di(2-ethylhexyl) phthalate 236.51
    ethyl propionate 558.85
    nitromethane 1406.67
    1,2-diethoxyethane 1183.07
    benzonitrile 721.41
    trioctyl phosphate 153.29
    1-bromopropane 1211.21
    gamma-valerolactone 1551.77
    n-decanol 154.51
    triethyl phosphate 200.96
    4-methyl-2-pentanol 328.53
    propionitrile 852.04
    vinylene carbonate 674.47
    1,1,2-trichlorotrifluoroethane 1056.47
    DMS 511.67
    cumene 178.66
    2-octanol 158.41
    2-hexanone 751.1
    octyl acetate 294.4
    limonene 239.31
    1,2-dimethoxyethane 1133.4
    ethyl orthosilicate 206.11
    tributyl phosphate 231.11
    diacetone alcohol 688.52
    N,N-dimethylaniline 344.89
    acrylonitrile 980.1
    aniline 764.47
    1,3-propanediol 595.58
    bromobenzene 1000.66
    dibromomethane 1952.14
    1,1,2,2-tetrachloroethane 2269.52
    2-methyl-cyclohexyl acetate 377.97
    tetrabutyl urea 276.21
    diisobutyl methanol 192.06
    2-phenylethanol 466.53
    styrene 436.71
    dioctyl adipate 352.76
    dimethyl sulfate 447.82
    ethyl butyrate 488.75
    methyl lactate 316.24
    butyl lactate 352.89
    diethyl carbonate 322.74
    propanediol butyl ether 502.06
    triethyl orthoformate 309.96
    p-tert-butyltoluene 146.37
    methyl 4-tert-butylbenzoate 391.51
    morpholine 1841.24
    tert-butylamine 656.89
    n-dodecanol 114.78
    dimethoxymethane 938.05
    ethylene carbonate 572.93
    cyrene 389.61
    2-ethoxyethyl acetate 715.93
    2-ethylhexyl acetate 561.12
    1,2,4-trichlorobenzene 793.47
    4-methylpyridine 1451.07
    dibutyl ether 466.0
    2,6-dimethyl-4-heptanol 192.06
    DEF 1028.32
    dimethyl isosorbide 786.13
    tetrachloroethylene 1236.66
    eugenol 406.43
    triacetin 597.72
    span 80 470.06
    1,4-butanediol 242.3
    1,1-dichloroethane 1807.41
    2-methyl-1-pentanol 582.4
    methyl formate 422.06
    2-methyl-1-butanol 689.08
    n-decane 32.26
    butyronitrile 997.37
    3,7-dimethyl-1-octanol 289.09
    1-chlorooctane 192.95
    1-chlorotetradecane 73.29
    n-nonane 30.95
    undecane 23.86
    tert-butylcyclohexane 83.03
    cyclooctane 50.58
    cyclopentanol 724.99
    tetrahydropyran 1831.13
    tert-amyl methyl ether 643.93
    2,5,8-trioxanonane 925.14
    1-hexene 586.85
    2-isopropoxyethanol 556.91
    2,2,2-trifluoroethanol 211.18
    methyl butyrate 752.56

    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