2(3H)-Furanone, dihydro-5-(5-methoxy-1,5-dimethylhexyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    61099-36-3

    Molecular formula
    C13H24O3

    SMILES
    CC(CCCC(C)(C)OC)C1CCC(=O)O1

    Safety labels

  • Odor profile

    Fragrance
    Floral 65.32%
    Woody 51.33%
    Sweet 40.5%
    Fresh 36.26%
    Lactonic 29.36%
    Creamy 28.19%
    Dry 28.14%
    Herbal 27.94%
    Jasmin 27.6%
    Lily 26.87%

     

    Flavor
    Green 58.94%
    Herbal 36.46%
    Fruity 34.37%
    Oily 34.18%
    Waxy 33.48%
    Tropical 31.52%
    Minty 29.59%
    Floral 29.5%
    Fresh 27.81%
    Peach 27.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.59 (weak base)

    Molecular weight
    228.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 116.03 ˚C est.

  • Synonyms

    • 61099-36-3
    • Methoxycitronellene lactone
    • 2(3H)-Furanone, dihydro-5-(5-methoxy-1,5-dimethylhexyl)-
    • EINECS 262-607-9
    • DTXSID70866837
    • RefChem:439886
    • DTXCID80815073
    • Dihydro-5-(5-methoxy-1,5-dimethylhexyl)furan-2(3H)-one
    • 5-(6-methoxy-6-methylheptan-2-yl)oxolan-2-one
    • BZWMNDPUJKKIEE-UHFFFAOYSA-N
    • DB-307834
    • NS00053379
    • 61099-36-3

  • Applications

    2(3H)-Furanone, dihydro-5-(5-methoxy-1,5-dimethylhexyl)- (CAS number: 61099-36-3) is used as a fragrance ingredient and odorant in the fragrance industry, contributing specific notes in perfumery and cosmetics; it can function as a fragrance fixative to extend scent retention in cosmetic and household formulations; in cleaning and household products it serves as a scent additive to improve overall odor profile; as an intermediate in the synthesis of fragrance-related chemicals and other specialty formulations used in polymers, coatings, and inks; and in coatings and inks it may act as an odorant additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2141.93
    methanol 2251.23
    isopropanol 1847.09
    water 4.01
    ethyl acetate 1562.24
    n-propanol 1413.92
    acetone 1294.27
    n-butanol 1282.6
    acetonitrile 1097.99
    DMF 997.24
    toluene 655.84
    isobutanol 968.11
    1,4-dioxane 2346.04
    methyl acetate 1065.07
    THF 2101.25
    2-butanone 1035.06
    n-pentanol 816.28
    sec-butanol 1135.92
    n-hexane 78.92
    ethylene glycol 247.06
    NMP 675.95
    cyclohexane 163.09
    DMSO 1020.53
    n-butyl acetate 739.42
    n-octanol 283.97
    chloroform 3977.13
    n-propyl acetate 756.8
    acetic acid 1443.8
    dichloromethane 2691.71
    cyclohexanone 1185.69
    propylene glycol 494.64
    isopropyl acetate 1110.05
    DMAc 1140.32
    2-ethoxyethanol 1318.31
    isopentanol 1057.56
    n-heptane 30.72
    ethyl formate 696.05
    1,2-dichloroethane 1285.03
    n-hexanol 702.28
    2-methoxyethanol 1679.01
    isobutyl acetate 585.52
    tetrachloromethane 540.39
    n-pentyl acetate 402.17
    transcutol 3001.49
    n-heptanol 268.44
    ethylbenzene 300.64
    MIBK 609.25
    2-propoxyethanol 1229.02
    tert-butanol 1959.96
    MTBE 1568.92
    2-butoxyethanol 560.17
    propionic acid 862.91
    o-xylene 354.72
    formic acid 535.06
    diethyl ether 1339.95
    m-xylene 413.76
    p-xylene 419.52
    chlorobenzene 756.58
    dimethyl carbonate 312.68
    n-octane 15.67
    formamide 652.48
    cyclopentanone 982.34
    2-pentanone 868.69
    anisole 702.68
    cyclopentyl methyl ether 859.88
    gamma-butyrolactone 1146.0
    1-methoxy-2-propanol 1329.01
    pyridine 1177.53
    3-pentanone 594.78
    furfural 1097.27
    n-dodecane 16.62
    diethylene glycol 826.93
    diisopropyl ether 363.32
    tert-amyl alcohol 1235.49
    acetylacetone 1028.84
    n-hexadecane 19.83
    acetophenone 586.71
    methyl propionate 783.68
    isopentyl acetate 728.18
    trichloroethylene 2591.09
    n-nonanol 260.28
    cyclohexanol 895.39
    benzyl alcohol 577.7
    2-ethylhexanol 332.2
    isooctanol 221.95
    dipropyl ether 332.51
    1,2-dichlorobenzene 668.58
    ethyl lactate 324.1
    propylene carbonate 774.01
    n-methylformamide 664.9
    2-pentanol 793.78
    n-pentane 76.52
    1-propoxy-2-propanol 736.48
    1-methoxy-2-propyl acetate 874.44
    2-(2-methoxypropoxy) propanol 586.88
    mesitylene 256.82
    ε-caprolactone 1170.64
    p-cymene 159.22
    epichlorohydrin 1571.53
    1,1,1-trichloroethane 1756.95
    2-aminoethanol 689.2
    morpholine-4-carbaldehyde 1274.97
    sulfolane 900.94
    2,2,4-trimethylpentane 57.0
    2-methyltetrahydrofuran 1535.65
    n-hexyl acetate 596.47
    isooctane 44.26
    2-(2-butoxyethoxy)ethanol 848.88
    sec-butyl acetate 672.67
    tert-butyl acetate 977.66
    decalin 78.17
    glycerin 530.39
    diglyme 1457.44
    acrylic acid 598.1
    isopropyl myristate 214.47
    n-butyric acid 1317.58
    acetyl acetate 977.12
    di(2-ethylhexyl) phthalate 216.17
    ethyl propionate 604.52
    nitromethane 1562.56
    1,2-diethoxyethane 880.31
    benzonitrile 666.12
    trioctyl phosphate 141.89
    1-bromopropane 886.41
    gamma-valerolactone 1566.38
    n-decanol 177.82
    triethyl phosphate 225.69
    4-methyl-2-pentanol 451.44
    propionitrile 830.06
    vinylene carbonate 724.25
    1,1,2-trichlorotrifluoroethane 1217.18
    DMS 496.5
    cumene 218.48
    2-octanol 189.97
    2-hexanone 610.03
    octyl acetate 264.82
    limonene 228.28
    1,2-dimethoxyethane 1598.85
    ethyl orthosilicate 233.32
    tributyl phosphate 202.4
    diacetone alcohol 812.99
    N,N-dimethylaniline 397.13
    acrylonitrile 812.89
    aniline 818.2
    1,3-propanediol 1070.24
    bromobenzene 811.75
    dibromomethane 1790.85
    1,1,2,2-tetrachloroethane 2247.99
    2-methyl-cyclohexyl acetate 399.26
    tetrabutyl urea 206.91
    diisobutyl methanol 183.74
    2-phenylethanol 521.21
    styrene 413.22
    dioctyl adipate 313.58
    dimethyl sulfate 413.98
    ethyl butyrate 486.06
    methyl lactate 366.79
    butyl lactate 331.69
    diethyl carbonate 345.27
    propanediol butyl ether 546.76
    triethyl orthoformate 351.12
    p-tert-butyltoluene 163.83
    methyl 4-tert-butylbenzoate 437.36
    morpholine 2553.92
    tert-butylamine 1146.17
    n-dodecanol 127.57
    dimethoxymethane 936.88
    ethylene carbonate 704.45
    cyrene 417.58
    2-ethoxyethyl acetate 619.42
    2-ethylhexyl acetate 547.5
    1,2,4-trichlorobenzene 809.27
    4-methylpyridine 1234.88
    dibutyl ether 342.57
    2,6-dimethyl-4-heptanol 183.74
    DEF 863.04
    dimethyl isosorbide 752.75
    tetrachloroethylene 1371.0
    eugenol 396.88
    triacetin 633.48
    span 80 455.68
    1,4-butanediol 429.92
    1,1-dichloroethane 1873.11
    2-methyl-1-pentanol 666.03
    methyl formate 438.65
    2-methyl-1-butanol 852.77
    n-decane 30.99
    butyronitrile 921.46
    3,7-dimethyl-1-octanol 337.09
    1-chlorooctane 169.73
    1-chlorotetradecane 61.31
    n-nonane 28.06
    undecane 21.63
    tert-butylcyclohexane 74.74
    cyclooctane 44.19
    cyclopentanol 769.23
    tetrahydropyran 1853.61
    tert-amyl methyl ether 861.04
    2,5,8-trioxanonane 923.2
    1-hexene 350.17
    2-isopropoxyethanol 924.67
    2,2,2-trifluoroethanol 496.66
    methyl butyrate 770.7

    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