2-Nonenoic acid gamma-lactone

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  • Identifiers

    CAS number
    21963-26-8

    Molecular formula
    C9H14O2

    SMILES
    CCCCCC1C=CC(=O)O1

  • Odor profile

    Coconut 65.91%
    Fruity 62.63%
    Lactonic 61.8%
    Buttery 54.33%
    Fatty 54.17%
    Dairy 50.41%
    Creamy 49.24%
    Milky 47.25%
    Peach 46.83%
    Sweet 42.24%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.71 (neutral)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point est.
    99.26 ˚C

    Solubility expt.

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 21963-26-8
    • 2-pentyl-2H-furan-5-one
    • 5-Pentyl-2(5H)-furanone
    • 2-nonenoic acid gamma-lactone
    • 2-nonen-4-olide
    • 5-Pentylfuran-2(5H)-one
    • 2(5H)-Furanone, 5-pentyl-
    • 2-nonenoic acid .gamma.-lactone
    • OZ464RW03R
    • (5H)-5-Pentyl-2-furanone
    • FEMA NO. 4188
    • DTXSID70865022
    • 5-pentyl-2,5-dihydrofuran-2-one
    • EINECS 244-685-6
    • 5-N-PENTYL-2(5H)-FURANONE
    • 4-HYDROXY-2-NONENOIC ACID LACTONE
    • (+/-)-2-NONENOIC ACID .GAMMA.-LACTONE
    • 2-NONENOIC ACID .GAMMA.-LACTONE, (+/-)-
    • 2-NONENOIC ACID, 4-HYDROXY-, .GAMMA.-LACTONE
    • 5-pentyl-5H-furan-2-one
    • 5-Pentyl-2-furanone
    • 2-pentyl-2H-uran-5-one
    • UNII-OZ464RW03R
    • SCHEMBL3505080
    • DTXCID20813477
    • CHEBI:180440
    • WAA96326
    • LMFA07040020
    • AKOS028113750
    • 2-Nonenoic acid, 4-hydroxy-, gammalactone
    • NS00049569
    • (+/-)-2-NONENOIC ACID GAMMA-LACTONE
    • G82762
    • 2-NONENOIC ACID GAMMA-LACTONE, (+/-)-
    • EN300-7724787
    • 2-NONENOIC ACID, 4-HYDROXY-, GAMMA-LACTONE
    • Q27285923
    • 244-685-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2323.58
    methanol 2482.51
    isopropanol 1476.65
    water 0.16
    ethyl acetate 2063.06
    n-propanol 1454.55
    acetone 3338.21
    n-butanol 1351.65
    acetonitrile 1528.44
    DMF 3317.3
    toluene 626.27
    isobutanol 1071.68
    1,4-dioxane 1989.19
    methyl acetate 1449.62
    THF 3290.5
    2-butanone 2013.07
    n-pentanol 848.87
    sec-butanol 1087.43
    n-hexane 104.98
    ethylene glycol 326.75
    NMP 2089.36
    cyclohexane 120.0
    DMSO 3857.36
    n-butyl acetate 1186.22
    n-octanol 262.66
    chloroform 3009.2
    n-propyl acetate 941.67
    acetic acid 1400.79
    dichloromethane 3064.08
    cyclohexanone 2143.29
    propylene glycol 558.3
    isopropyl acetate 1279.25
    DMAc 1825.44
    2-ethoxyethanol 1023.79
    isopentanol 1195.87
    n-heptane 29.71
    ethyl formate 835.96
    1,2-dichloroethane 2351.63
    n-hexanol 847.09
    2-methoxyethanol 2001.62
    isobutyl acetate 606.87
    tetrachloromethane 285.88
    n-pentyl acetate 510.15
    transcutol 4472.46
    n-heptanol 253.72
    ethylbenzene 270.39
    MIBK 993.55
    2-propoxyethanol 1352.94
    tert-butanol 1568.39
    MTBE 1771.49
    2-butoxyethanol 563.6
    propionic acid 1064.24
    o-xylene 288.93
    formic acid 372.23
    diethyl ether 1756.14
    m-xylene 421.83
    p-xylene 319.31
    chlorobenzene 939.44
    dimethyl carbonate 518.66
    n-octane 14.87
    formamide 674.33
    cyclopentanone 2494.18
    2-pentanone 1896.66
    anisole 760.71
    cyclopentyl methyl ether 1491.8
    gamma-butyrolactone 2516.27
    1-methoxy-2-propanol 1685.88
    pyridine 1807.24
    3-pentanone 1056.4
    furfural 1567.56
    n-dodecane 15.25
    diethylene glycol 971.03
    diisopropyl ether 450.44
    tert-amyl alcohol 1166.63
    acetylacetone 1853.66
    n-hexadecane 18.37
    acetophenone 609.47
    methyl propionate 1493.93
    isopentyl acetate 1026.97
    trichloroethylene 3685.3
    n-nonanol 222.82
    cyclohexanol 965.45
    benzyl alcohol 580.24
    2-ethylhexanol 412.86
    isooctanol 220.34
    dipropyl ether 449.04
    1,2-dichlorobenzene 741.94
    ethyl lactate 341.44
    propylene carbonate 1160.27
    n-methylformamide 1332.55
    2-pentanol 862.04
    n-pentane 79.32
    1-propoxy-2-propanol 916.84
    1-methoxy-2-propyl acetate 1105.87
    2-(2-methoxypropoxy) propanol 644.63
    mesitylene 242.34
    ε-caprolactone 1577.78
    p-cymene 140.25
    epichlorohydrin 2802.02
    1,1,1-trichloroethane 1588.36
    2-aminoethanol 786.47
    morpholine-4-carbaldehyde 1648.6
    sulfolane 2745.62
    2,2,4-trimethylpentane 53.54
    2-methyltetrahydrofuran 2448.97
    n-hexyl acetate 770.16
    isooctane 53.26
    2-(2-butoxyethoxy)ethanol 972.02
    sec-butyl acetate 687.81
    tert-butyl acetate 1253.68
    decalin 75.81
    glycerin 620.98
    diglyme 1523.16
    acrylic acid 842.08
    isopropyl myristate 246.59
    n-butyric acid 1628.16
    acetyl acetate 935.31
    di(2-ethylhexyl) phthalate 251.19
    ethyl propionate 798.0
    nitromethane 2297.39
    1,2-diethoxyethane 1203.48
    benzonitrile 784.72
    trioctyl phosphate 164.84
    1-bromopropane 1378.01
    gamma-valerolactone 2461.99
    n-decanol 163.1
    triethyl phosphate 217.22
    4-methyl-2-pentanol 479.21
    propionitrile 1123.14
    vinylene carbonate 997.08
    1,1,2-trichlorotrifluoroethane 1548.98
    DMS 677.41
    cumene 180.93
    2-octanol 187.71
    2-hexanone 1010.68
    octyl acetate 312.46
    limonene 233.3
    1,2-dimethoxyethane 1600.85
    ethyl orthosilicate 216.64
    tributyl phosphate 241.3
    diacetone alcohol 1190.14
    N,N-dimethylaniline 407.21
    acrylonitrile 1341.52
    aniline 924.21
    1,3-propanediol 1036.84
    bromobenzene 1054.69
    dibromomethane 2007.18
    1,1,2,2-tetrachloroethane 2714.89
    2-methyl-cyclohexyl acetate 416.75
    tetrabutyl urea 292.62
    diisobutyl methanol 223.83
    2-phenylethanol 578.35
    styrene 439.18
    dioctyl adipate 368.61
    dimethyl sulfate 779.95
    ethyl butyrate 560.27
    methyl lactate 586.03
    butyl lactate 416.33
    diethyl carbonate 348.61
    propanediol butyl ether 682.87
    triethyl orthoformate 339.97
    p-tert-butyltoluene 148.41
    methyl 4-tert-butylbenzoate 446.69
    morpholine 2845.22
    tert-butylamine 952.12
    n-dodecanol 120.35
    dimethoxymethane 1735.7
    ethylene carbonate 870.49
    cyrene 481.18
    2-ethoxyethyl acetate 819.02
    2-ethylhexyl acetate 701.83
    1,2,4-trichlorobenzene 886.94
    4-methylpyridine 1873.71
    dibutyl ether 439.79
    2,6-dimethyl-4-heptanol 223.83
    DEF 1784.65
    dimethyl isosorbide 933.7
    tetrachloroethylene 1459.1
    eugenol 470.71
    triacetin 664.67
    span 80 535.49
    1,4-butanediol 368.87
    1,1-dichloroethane 2256.27
    2-methyl-1-pentanol 797.29
    methyl formate 832.66
    2-methyl-1-butanol 1037.65
    n-decane 25.37
    butyronitrile 1337.36
    3,7-dimethyl-1-octanol 338.03
    1-chlorooctane 177.84
    1-chlorotetradecane 69.99
    n-nonane 23.92
    undecane 18.94
    tert-butylcyclohexane 74.85
    cyclooctane 33.73
    cyclopentanol 1046.72
    tetrahydropyran 2388.93
    tert-amyl methyl ether 961.86
    2,5,8-trioxanonane 1006.04
    1-hexene 545.1
    2-isopropoxyethanol 770.28
    2,2,2-trifluoroethanol 343.48
    methyl butyrate 1087.95

    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