Marmelolactone B

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  • Identifiers

    CAS number
    74183-60-1

    Molecular formula
    C10H14O2

    SMILES
    C[C@@H]1C[C@@H](OC1=O)/C=C/C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 64.45%
    Spicy 58.11%
    Mint 44.36%
    Herbal 43.63%
    Coconut 40.1%
    Nutty 38.82%
    Fruity 37.49%
    Coumarinic 35.28%
    Green 35.15%
    Floral 32.61%

     

    Flavor
    Minty 38.69%
    Spice 33.44%
    Herbal 32.63%
    Mint 26.14%
    Spicy 25.59%
    Basil 21.93%
    Spearmint 21.33%
    Bitter 20.22%
    Licorice 20.09%
    Celery 20.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.91 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    278°C

    Flash point

    • 99.93 ˚C est.

  • Synonyms

    • Marmelolactone B
    • (-)-Marmelolactone B
    • PYA35NRY4L
    • DTXSID301019730
    • (3R,5R)-Dihydro-3-methyl-5-((1E)-3-methyl-1,3-butadien-1-yl)-2(3H)-furanone
    • 2(3H)-Furanone, dihydro-3-methyl-5-((1E)-3-methyl-1,3-butadien-1-yl)-, (3R,5R)-
    • (3R,5R)-3-methyl-5-((1E)-3-methylbuta-1,3-dienyl)oxolan-2-one
    • (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dienyl]oxolan-2-one
    • RefChem:155908
    • DTXCID301477643
    • UNII-PYA35NRY4L
    • 74183-60-1
    • (3R,5R)-3-methyl-5-[(1E)-3-methylbuta-1,3-dien-1-yl]oxolan-2-one
    • 74183-60-1

  • Applications

    Marmelolactone B (CAS 74183-60-1) is considered a potential ingredient in fragrance and cosmetics as an aroma compound or odorant; it may also serve as a useful chemical intermediate in organic synthesis, with possible roles as a monomer or precursor for polymer systems; in coatings and inks, it can be used as an additive or processing component for paints and printed materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 805.72
    methanol 979.33
    isopropanol 686.0
    water 3.36
    ethyl acetate 505.06
    n-propanol 603.66
    acetone 681.16
    n-butanol 644.87
    acetonitrile 440.6
    DMF 965.34
    toluene 299.98
    isobutanol 530.76
    1,4-dioxane 778.32
    methyl acetate 487.55
    THF 851.21
    2-butanone 605.76
    n-pentanol 509.51
    sec-butanol 610.78
    n-hexane 47.31
    ethylene glycol 188.28
    NMP 638.61
    cyclohexane 35.83
    DMSO 676.0
    n-butyl acetate 372.77
    n-octanol 172.41
    chloroform 1380.34
    n-propyl acetate 346.78
    acetic acid 650.57
    dichloromethane 1006.92
    cyclohexanone 522.72
    propylene glycol 309.61
    isopropyl acetate 382.81
    DMAc 1072.72
    2-ethoxyethanol 675.08
    isopentanol 728.79
    n-heptane 11.59
    ethyl formate 333.82
    1,2-dichloroethane 612.63
    n-hexanol 430.63
    2-methoxyethanol 865.74
    isobutyl acetate 261.61
    tetrachloromethane 171.72
    n-pentyl acetate 190.85
    transcutol 1949.86
    n-heptanol 171.76
    ethylbenzene 206.76
    MIBK 375.75
    2-propoxyethanol 638.63
    tert-butanol 828.1
    MTBE 727.21
    2-butoxyethanol 332.33
    propionic acid 417.77
    o-xylene 208.04
    formic acid 337.23
    diethyl ether 502.3
    m-xylene 230.19
    p-xylene 259.04
    chlorobenzene 377.14
    dimethyl carbonate 196.07
    n-octane 6.24
    formamide 427.87
    cyclopentanone 536.36
    2-pentanone 489.85
    anisole 466.45
    cyclopentyl methyl ether 378.64
    gamma-butyrolactone 577.08
    1-methoxy-2-propanol 703.52
    pyridine 590.2
    3-pentanone 328.58
    furfural 663.3
    n-dodecane 6.57
    diethylene glycol 507.93
    diisopropyl ether 155.48
    tert-amyl alcohol 753.51
    acetylacetone 483.32
    n-hexadecane 7.57
    acetophenone 397.21
    methyl propionate 365.06
    isopentyl acetate 381.84
    trichloroethylene 1280.4
    n-nonanol 144.25
    cyclohexanol 361.3
    benzyl alcohol 413.42
    2-ethylhexanol 216.97
    isooctanol 152.4
    dipropyl ether 139.02
    1,2-dichlorobenzene 358.28
    ethyl lactate 183.42
    propylene carbonate 422.05
    n-methylformamide 459.28
    2-pentanol 435.47
    n-pentane 39.24
    1-propoxy-2-propanol 376.18
    1-methoxy-2-propyl acetate 377.04
    2-(2-methoxypropoxy) propanol 370.88
    mesitylene 133.98
    ε-caprolactone 502.85
    p-cymene 88.11
    epichlorohydrin 830.08
    1,1,1-trichloroethane 606.64
    2-aminoethanol 409.79
    morpholine-4-carbaldehyde 758.89
    sulfolane 532.26
    2,2,4-trimethylpentane 37.9
    2-methyltetrahydrofuran 683.62
    n-hexyl acetate 315.57
    isooctane 31.13
    2-(2-butoxyethoxy)ethanol 511.4
    sec-butyl acetate 305.93
    tert-butyl acetate 391.63
    decalin 40.02
    glycerin 384.98
    diglyme 771.24
    acrylic acid 380.79
    isopropyl myristate 100.58
    n-butyric acid 561.5
    acetyl acetate 326.34
    di(2-ethylhexyl) phthalate 133.78
    ethyl propionate 287.78
    nitromethane 714.62
    1,2-diethoxyethane 429.07
    benzonitrile 400.97
    trioctyl phosphate 81.29
    1-bromopropane 385.7
    gamma-valerolactone 757.26
    n-decanol 99.38
    triethyl phosphate 114.03
    4-methyl-2-pentanol 301.15
    propionitrile 371.15
    vinylene carbonate 394.65
    1,1,2-trichlorotrifluoroethane 658.81
    DMS 270.16
    cumene 149.11
    2-octanol 115.45
    2-hexanone 387.12
    octyl acetate 134.85
    limonene 115.99
    1,2-dimethoxyethane 810.93
    ethyl orthosilicate 115.74
    tributyl phosphate 112.17
    diacetone alcohol 483.87
    N,N-dimethylaniline 307.86
    acrylonitrile 431.37
    aniline 424.13
    1,3-propanediol 532.2
    bromobenzene 375.67
    dibromomethane 655.55
    1,1,2,2-tetrachloroethane 1030.87
    2-methyl-cyclohexyl acetate 200.71
    tetrabutyl urea 135.71
    diisobutyl methanol 118.99
    2-phenylethanol 347.23
    styrene 272.28
    dioctyl adipate 147.54
    dimethyl sulfate 282.09
    ethyl butyrate 209.05
    methyl lactate 235.96
    butyl lactate 199.73
    diethyl carbonate 160.64
    propanediol butyl ether 404.03
    triethyl orthoformate 152.63
    p-tert-butyltoluene 86.0
    methyl 4-tert-butylbenzoate 248.24
    morpholine 932.33
    tert-butylamine 524.89
    n-dodecanol 69.41
    dimethoxymethane 492.88
    ethylene carbonate 317.68
    cyrene 310.13
    2-ethoxyethyl acetate 311.72
    2-ethylhexyl acetate 283.49
    1,2,4-trichlorobenzene 458.2
    4-methylpyridine 741.59
    dibutyl ether 154.15
    2,6-dimethyl-4-heptanol 118.99
    DEF 523.73
    dimethyl isosorbide 419.84
    tetrachloroethylene 623.91
    eugenol 295.12
    triacetin 276.61
    span 80 266.84
    1,4-butanediol 281.84
    1,1-dichloroethane 703.17
    2-methyl-1-pentanol 581.28
    methyl formate 331.24
    2-methyl-1-butanol 642.25
    n-decane 11.62
    butyronitrile 444.48
    3,7-dimethyl-1-octanol 215.48
    1-chlorooctane 79.2
    1-chlorotetradecane 28.44
    n-nonane 10.01
    undecane 8.49
    tert-butylcyclohexane 45.4
    cyclooctane 13.28
    cyclopentanol 328.79
    tetrahydropyran 615.1
    tert-amyl methyl ether 500.1
    2,5,8-trioxanonane 511.51
    1-hexene 223.02
    2-isopropoxyethanol 487.89
    2,2,2-trifluoroethanol 233.9
    methyl butyrate 391.86

    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