Citronellene lactone

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  • Identifiers

    CAS number
    61099-53-4

    Molecular formula
    C12H20O2

    SMILES
    CC(CCC=C(C)C)C1CCC(=O)O1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 66.16%
    Sweet 61.12%
    Fruity 51.54%
    Fresh 41.38%
    Waxy 40.84%
    Citrus 38.38%
    Peach 38.24%
    Lactonic 38.12%
    Creamy 37.55%
    Jasmin 35.45%

     

    Flavor
    Herbal 55.24%
    Floral 46.17%
    Fresh 45.36%
    Green 37.32%
    Minty 33.21%
    Spicy 33.07%
    Waxy 32.62%
    Celery 31.65%
    Jasmin 30.89%
    Sweet 30.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.93 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point

    • 111.57 ˚C est.

  • Synonyms

    • Citronellene lactone
    • 61099-53-4
    • 2(3H)-Furanone, 5-(1,5-dimethyl-4-hexen-1-yl)dihydro-
    • 5-(1,5-Dimethyl-4-hexenyl)dihydrofuran-2(3H)-one
    • EINECS 262-608-4
    • 2(3H)-Furanone, 5-(1,5-dimethyl-4-hexenyl)dihydro-
    • HHU24873T9
    • DTXSID30866838
    • 5,9-Dimethyl-4-hydroxydec-8-enoic acid, lactone
    • 5-(1,5-DIMETHYL-4-HEXEN-1-YL)DIHYDRO-2(3H)-FURANONE
    • RefChem:577475
    • DTXCID40815074
    • 5-(6-methylhept-5-en-2-yl)oxolan-2-one
    • UNII-HHU24873T9
    • SCHEMBL5186469
    • BSLAGKJAUWCLKK-UHFFFAOYSA-N
    • DB-306120
    • NS00012305
    • Q27279941
    • 61099-53-4

  • Applications

    Citronellene lactone (CAS 61099-53-4) is primarily used as a fragrance ingredient and aroma component in perfumery and cosmetics, contributing citrus-floral notes in formulations. It is also employed as a chemical intermediate in the synthesis of other fragrance compounds and related specialty chemicals, with potential use in consumer products that rely on scent. In household products and cleaners, it may be added to impart a citrus-inspired aroma. In coatings and inks, it can serve as a fragrance additive to improve odor profiles. In industrial manufacturing, it may function as an intermediate or feedstock in the development of aroma-related polymers or intermediate compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1485.33
    methanol 1487.94
    isopropanol 1243.5
    water 0.52
    ethyl acetate 942.09
    n-propanol 1020.24
    acetone 869.74
    n-butanol 1045.98
    acetonitrile 715.67
    DMF 632.58
    toluene 526.69
    isobutanol 790.0
    1,4-dioxane 1516.6
    methyl acetate 693.24
    THF 1558.96
    2-butanone 802.71
    n-pentanol 767.75
    sec-butanol 935.53
    n-hexane 119.18
    ethylene glycol 137.36
    NMP 516.59
    cyclohexane 125.48
    DMSO 663.9
    n-butyl acetate 754.87
    n-octanol 286.87
    chloroform 2487.81
    n-propyl acetate 559.41
    acetic acid 637.46
    dichloromethane 1722.0
    cyclohexanone 848.93
    propylene glycol 320.89
    isopropyl acetate 689.36
    DMAc 735.59
    2-ethoxyethanol 801.19
    isopentanol 995.91
    n-heptane 37.9
    ethyl formate 436.56
    1,2-dichloroethane 880.71
    n-hexanol 806.09
    2-methoxyethanol 1048.75
    isobutyl acetate 432.8
    tetrachloromethane 289.12
    n-pentyl acetate 368.75
    transcutol 2784.59
    n-heptanol 287.1
    ethylbenzene 263.28
    MIBK 520.81
    2-propoxyethanol 1082.63
    tert-butanol 1326.27
    MTBE 1280.97
    2-butoxyethanol 515.34
    propionic acid 476.78
    o-xylene 292.63
    formic acid 179.96
    diethyl ether 1059.98
    m-xylene 350.12
    p-xylene 336.63
    chlorobenzene 546.35
    dimethyl carbonate 173.07
    n-octane 18.65
    formamide 242.15
    cyclopentanone 724.46
    2-pentanone 735.33
    anisole 533.32
    cyclopentyl methyl ether 706.31
    gamma-butyrolactone 730.03
    1-methoxy-2-propanol 920.97
    pyridine 838.73
    3-pentanone 460.44
    furfural 698.6
    n-dodecane 18.03
    diethylene glycol 631.55
    diisopropyl ether 309.57
    tert-amyl alcohol 974.09
    acetylacetone 655.8
    n-hexadecane 21.16
    acetophenone 428.29
    methyl propionate 485.51
    isopentyl acetate 717.34
    trichloroethylene 1590.1
    n-nonanol 250.64
    cyclohexanol 694.34
    benzyl alcohol 465.91
    2-ethylhexanol 410.8
    isooctanol 242.4
    dipropyl ether 367.73
    1,2-dichlorobenzene 465.25
    ethyl lactate 234.08
    propylene carbonate 509.47
    n-methylformamide 335.09
    2-pentanol 744.21
    n-pentane 91.16
    1-propoxy-2-propanol 736.08
    1-methoxy-2-propyl acetate 695.51
    2-(2-methoxypropoxy) propanol 532.96
    mesitylene 212.81
    ε-caprolactone 821.31
    p-cymene 152.02
    epichlorohydrin 1074.36
    1,1,1-trichloroethane 971.28
    2-aminoethanol 413.48
    morpholine-4-carbaldehyde 821.17
    sulfolane 588.79
    2,2,4-trimethylpentane 60.2
    2-methyltetrahydrofuran 1261.66
    n-hexyl acetate 579.05
    isooctane 53.08
    2-(2-butoxyethoxy)ethanol 801.9
    sec-butyl acetate 479.3
    tert-butyl acetate 671.28
    decalin 79.27
    glycerin 323.44
    diglyme 1163.7
    acrylic acid 323.57
    isopropyl myristate 194.45
    n-butyric acid 878.83
    acetyl acetate 476.44
    di(2-ethylhexyl) phthalate 206.02
    ethyl propionate 419.08
    nitromethane 643.61
    1,2-diethoxyethane 965.08
    benzonitrile 550.9
    trioctyl phosphate 134.47
    1-bromopropane 756.2
    gamma-valerolactone 990.96
    n-decanol 176.72
    triethyl phosphate 171.91
    4-methyl-2-pentanol 443.01
    propionitrile 623.97
    vinylene carbonate 461.83
    1,1,2-trichlorotrifluoroethane 722.21
    DMS 376.84
    cumene 200.23
    2-octanol 200.68
    2-hexanone 580.71
    octyl acetate 244.64
    limonene 222.9
    1,2-dimethoxyethane 1083.09
    ethyl orthosilicate 186.57
    tributyl phosphate 179.82
    diacetone alcohol 620.58
    N,N-dimethylaniline 330.75
    acrylonitrile 537.29
    aniline 596.07
    1,3-propanediol 639.32
    bromobenzene 592.08
    dibromomethane 1229.61
    1,1,2,2-tetrachloroethane 1354.06
    2-methyl-cyclohexyl acetate 340.96
    tetrabutyl urea 196.68
    diisobutyl methanol 205.49
    2-phenylethanol 482.41
    styrene 338.66
    dioctyl adipate 260.3
    dimethyl sulfate 209.52
    ethyl butyrate 416.03
    methyl lactate 240.71
    butyl lactate 290.46
    diethyl carbonate 272.03
    propanediol butyl ether 536.43
    triethyl orthoformate 281.9
    p-tert-butyltoluene 152.16
    methyl 4-tert-butylbenzoate 340.7
    morpholine 1734.11
    tert-butylamine 875.54
    n-dodecanol 127.56
    dimethoxymethane 608.68
    ethylene carbonate 420.01
    cyrene 349.63
    2-ethoxyethyl acetate 545.33
    2-ethylhexyl acetate 520.27
    1,2,4-trichlorobenzene 560.61
    4-methylpyridine 962.69
    dibutyl ether 356.4
    2,6-dimethyl-4-heptanol 205.49
    DEF 607.16
    dimethyl isosorbide 631.08
    tetrachloroethylene 791.73
    eugenol 365.75
    triacetin 478.35
    span 80 433.98
    1,4-butanediol 305.07
    1,1-dichloroethane 1203.16
    2-methyl-1-pentanol 723.46
    methyl formate 214.62
    2-methyl-1-butanol 816.97
    n-decane 32.37
    butyronitrile 821.08
    3,7-dimethyl-1-octanol 352.26
    1-chlorooctane 168.55
    1-chlorotetradecane 63.68
    n-nonane 30.21
    undecane 23.02
    tert-butylcyclohexane 83.66
    cyclooctane 42.17
    cyclopentanol 569.91
    tetrahydropyran 1436.11
    tert-amyl methyl ether 714.19
    2,5,8-trioxanonane 761.17
    1-hexene 477.93
    2-isopropoxyethanol 664.62
    2,2,2-trifluoroethanol 172.78
    methyl butyrate 535.93

    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