Alpha,beta-acariolide

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  • Identifiers

    CAS number
    61315-75-1

    Molecular formula
    C10H14O2

    SMILES
    CC(=CCCC1=CC(=O)OC1)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 64.79%
    Fruity 64.32%
    Floral 54.3%
    Herbal 49.28%
    Spicy 49.2%
    Citrus 39.59%
    Mint 35.43%
    Fresh 34.28%
    Woody 33.99%
    Coconut 33.78%

     

    Flavor
    Herbal 48.63%
    Spicy 36.49%
    Spice 35.9%
    Fresh 32.94%
    Minty 32.31%
    Celery 32.17%
    Woody 30.36%
    Fatty 27.58%
    Jasmin 25.66%
    Green 23.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.22 (weak base)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 110.81 ˚C est.

  • Synonyms

    • 4-(4-methyl-3-pentenyl)-2(5h)-furanone
    • alpha,beta-acariolide
    • RefChem:514378
    • 61315-75-1
    • Fema No. 4868
    • 38KIU3DE78
    • UNII-38KIU3DE78
    • 2(5H)-Furanone, 4-(4-methyl-3-pentenyl)-
    • 4-(4-Methyl-3-penten-1-yl)-2(5H)-furanone
    • 4-(4-Methylpent-3-en-1-yl)furan-2(5H)-one
    • SCHEMBL17967787
    • DTXSID30452932
    • 61315-75-1

  • Applications

    Alpha,beta-acariolide (CAS 61315-75-1) is typically considered a specialty aroma compound and aroma intermediate; in perfumery and cosmetics it may serve as a fragrance ingredient and fixative, while in flavor applications it may be evaluated as part of aroma profiles; in industrial manufacturing it can function as a chemical intermediate for organic synthesis and as a processing aid in polymer and resin production; it is sometimes explored as an additive in coatings, inks, and adhesives to impart fragrance, and in household products as a scent component, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 670.06
    methanol 623.39
    isopropanol 440.33
    water 0.43
    ethyl acetate 475.91
    n-propanol 440.21
    acetone 393.28
    n-butanol 426.17
    acetonitrile 380.26
    DMF 450.32
    toluene 208.75
    isobutanol 283.39
    1,4-dioxane 694.76
    methyl acetate 353.04
    THF 682.31
    2-butanone 398.59
    n-pentanol 280.03
    sec-butanol 385.1
    n-hexane 23.47
    ethylene glycol 107.17
    NMP 332.63
    cyclohexane 24.17
    DMSO 414.22
    n-butyl acetate 255.11
    n-octanol 113.11
    chloroform 1036.36
    n-propyl acetate 220.74
    acetic acid 412.95
    dichloromethane 700.98
    cyclohexanone 327.91
    propylene glycol 260.64
    isopropyl acetate 266.31
    DMAc 468.05
    2-ethoxyethanol 422.48
    isopentanol 378.53
    n-heptane 10.76
    ethyl formate 194.48
    1,2-dichloroethane 389.38
    n-hexanol 271.07
    2-methoxyethanol 703.92
    isobutyl acetate 158.5
    tetrachloromethane 83.43
    n-pentyl acetate 123.57
    transcutol 1653.79
    n-heptanol 105.54
    ethylbenzene 105.1
    MIBK 223.82
    2-propoxyethanol 470.06
    tert-butanol 554.1
    MTBE 404.97
    2-butoxyethanol 223.13
    propionic acid 272.87
    o-xylene 110.75
    formic acid 170.38
    diethyl ether 394.21
    m-xylene 151.18
    p-xylene 127.44
    chlorobenzene 210.19
    dimethyl carbonate 121.07
    n-octane 4.99
    formamide 268.54
    cyclopentanone 351.63
    2-pentanone 331.06
    anisole 295.68
    cyclopentyl methyl ether 302.83
    gamma-butyrolactone 366.47
    1-methoxy-2-propanol 546.42
    pyridine 439.18
    3-pentanone 211.62
    furfural 402.88
    n-dodecane 5.48
    diethylene glycol 352.14
    diisopropyl ether 108.28
    tert-amyl alcohol 418.16
    acetylacetone 333.14
    n-hexadecane 6.39
    acetophenone 221.74
    methyl propionate 289.22
    isopentyl acetate 240.98
    trichloroethylene 833.05
    n-nonanol 100.63
    cyclohexanol 254.18
    benzyl alcohol 228.66
    2-ethylhexanol 150.03
    isooctanol 89.72
    dipropyl ether 136.72
    1,2-dichlorobenzene 187.24
    ethyl lactate 132.1
    propylene carbonate 251.16
    n-methylformamide 245.84
    2-pentanol 290.52
    n-pentane 20.39
    1-propoxy-2-propanol 326.99
    1-methoxy-2-propyl acetate 327.21
    2-(2-methoxypropoxy) propanol 307.37
    mesitylene 84.97
    ε-caprolactone 326.56
    p-cymene 60.79
    epichlorohydrin 558.34
    1,1,1-trichloroethane 379.62
    2-aminoethanol 293.84
    morpholine-4-carbaldehyde 479.25
    sulfolane 341.8
    2,2,4-trimethylpentane 17.54
    2-methyltetrahydrofuran 520.4
    n-hexyl acetate 208.03
    isooctane 16.45
    2-(2-butoxyethoxy)ethanol 425.25
    sec-butyl acetate 188.35
    tert-butyl acetate 292.13
    decalin 21.16
    glycerin 268.28
    diglyme 608.86
    acrylic acid 211.34
    isopropyl myristate 81.39
    n-butyric acid 390.45
    acetyl acetate 234.65
    di(2-ethylhexyl) phthalate 94.75
    ethyl propionate 200.34
    nitromethane 488.67
    1,2-diethoxyethane 377.42
    benzonitrile 236.3
    trioctyl phosphate 57.92
    1-bromopropane 254.13
    gamma-valerolactone 493.62
    n-decanol 73.26
    triethyl phosphate 86.32
    4-methyl-2-pentanol 176.58
    propionitrile 269.08
    vinylene carbonate 234.71
    1,1,2-trichlorotrifluoroethane 462.76
    DMS 192.19
    cumene 76.15
    2-octanol 71.93
    2-hexanone 227.18
    octyl acetate 102.49
    limonene 84.62
    1,2-dimethoxyethane 489.39
    ethyl orthosilicate 86.37
    tributyl phosphate 83.8
    diacetone alcohol 360.04
    N,N-dimethylaniline 174.73
    acrylonitrile 293.32
    aniline 319.48
    1,3-propanediol 388.03
    bromobenzene 215.43
    dibromomethane 468.85
    1,1,2,2-tetrachloroethane 656.89
    2-methyl-cyclohexyl acetate 151.21
    tetrabutyl urea 98.42
    diisobutyl methanol 83.99
    2-phenylethanol 222.87
    styrene 139.03
    dioctyl adipate 127.95
    dimethyl sulfate 151.51
    ethyl butyrate 166.2
    methyl lactate 168.94
    butyl lactate 132.94
    diethyl carbonate 125.36
    propanediol butyl ether 271.29
    triethyl orthoformate 124.72
    p-tert-butyltoluene 61.56
    methyl 4-tert-butylbenzoate 175.92
    morpholine 891.57
    tert-butylamine 313.19
    n-dodecanol 54.25
    dimethoxymethane 357.82
    ethylene carbonate 191.43
    cyrene 215.93
    2-ethoxyethyl acetate 244.3
    2-ethylhexyl acetate 182.84
    1,2,4-trichlorobenzene 239.32
    4-methylpyridine 459.7
    dibutyl ether 128.29
    2,6-dimethyl-4-heptanol 83.99
    DEF 318.37
    dimethyl isosorbide 371.11
    tetrachloroethylene 354.53
    eugenol 197.78
    triacetin 229.4
    span 80 226.38
    1,4-butanediol 145.3
    1,1-dichloroethane 463.9
    2-methyl-1-pentanol 267.31
    methyl formate 153.41
    2-methyl-1-butanol 327.16
    n-decane 9.18
    butyronitrile 309.97
    3,7-dimethyl-1-octanol 140.96
    1-chlorooctane 59.08
    1-chlorotetradecane 23.17
    n-nonane 8.1
    undecane 6.83
    tert-butylcyclohexane 24.16
    cyclooctane 9.38
    cyclopentanol 222.22
    tetrahydropyran 544.06
    tert-amyl methyl ether 270.41
    2,5,8-trioxanonane 442.9
    1-hexene 123.62
    2-isopropoxyethanol 314.97
    2,2,2-trifluoroethanol 113.56
    methyl butyrate 234.59

    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