5-Hydroxy-2,4-decadienoic acid delta-lactone

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  • Identifiers

    CAS number
    27593-23-3

    Molecular formula
    C10H14O2

    SMILES
    CCCCCC1=CC=CC(=O)O1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 83.67%
    Sweet 78.4%
    Creamy 69.8%
    Coconut 65.21%
    Waxy 64.53%
    Buttery 60.75%
    Dairy 60.59%
    Milky 52.92%
    Lactonic 52.47%
    Peach 47.75%

     

    Flavor
    Fatty 71.37%
    Waxy 65.61%
    Coconut 58.52%
    Creamy 57.6%
    Oily 42.44%
    Mushroom 41.27%
    Green 39.11%
    Fruity 38.09%
    Sweet 37.97%
    Fat 37.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.05 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 285.00 to 286.00 °C. @ 760.00 mm Hg

    Flash point

    • 100.33 ˚C est.

    Solubility expt.

    • soluble in fats; insoluble in water

  • Synonyms

    • 6-Pentyl-2H-pyran-2-one
    • 27593-23-3
    • 6-Amyl-alpha-pyrone
    • 6-Pentyl-2-pyrone
    • 2H-Pyran-2-one, 6-pentyl-
    • 6-pentylpyran-2-one
    • 6-Amyl-2-pyrone
    • 6-PENTYL-ALPHA-PYRONE
    • 6-Amyl-.alpha.-pyrone
    • FEMA No. 3696
    • 8JTW8HL4PJ
    • 5-Hydroxy-2,4-decadienoic acid delta-lactone
    • DTXSID0047589
    • 2-Pyrone, 6-pentyl
    • 6-pentyl-pyran-2-one
    • 6-n-pentyl-alpha-pyrone
    • EINECS 248-552-3
    • NSC-721361
    • DTXCID8027589
    • CHEBI:66729
    • NSC 721361
    • 5-hydroxy-2,4-decadienoic acid gamma-lactone
    • 5-HYDROXY-2,4-DECADIENOIC ACID .DELTA.-LACTONE
    • 5-HYDROXY-2,4-DECADIENOIC ACID .DELTA.-LACTONE [FHFI]
    • 2,4-DECADIENOIC ACID, 5-HYDROXY-3-METHYL-, .DELTA.-LACTONE
    • 6-Amyl-A-pyrone
    • UNII-8JTW8HL4PJ
    • 6-amyl-?-pyrone
    • 6-pentyl-a-pyrone
    • MFCD00047551
    • NSC721361
    • 6-Amyl-alpha -pyrone
    • 6-Pentyl-alpha -pyrone
    • 2,4-Decadien-5-olide
    • 6-N-Amyl alpha -pyrone
    • 6-Pentyl-.alpha.-pyrone
    • alpha -Pyrone, 6-pentyl
    • 6-N-Amyl .alpha.-pyrone
    • Pyran-2-one, 6-pentyl-
    • .alpha.-Pyrone, 6-pentyl
    • 6-n-pentyl-2h-pyran-2-one
    • SCHEMBL968257
    • CHEMBL503899
    • FEMA 3696
    • 6-(Pent-1-yl)-2H-pyran-2-one
    • Tox21_302570
    • 6-Amyl-alpha-pyrone, >=96%, FG
    • AKOS015839660
    • NCGC00256764-01
    • AS-58448
    • NCI60_041518
    • 5-Hydroxy-2,4-decadienoic acid D-lactone
    • CAS-27593-23-3
    • DB-047250
    • A2147
    • NS00021098
    • T70705
    • Q27135350
    • 2,4-DECADIENOIC ACID, 5-HYDROXY-3-METHYL-, DELTA-LACTONE
    • 248-552-3

  • Applications

    5-Hydroxy-2,4-decadienoic acid delta-lactone, CAS number: 27593-23-3, is used primarily as an intermediate in chemical synthesis and as a building block for specialty compounds across several industries; in the fragrance industry, it may serve as an odorant or fragrance precursor; in cosmetics and personal care, it can function as a synthetic building block for formulations; in household cleaning products, it may act as a fragrance component or odorant; in industrial manufacturing, it is evaluated as a monomer or intermediate for specialty polyesters and functional polymers; in coatings and inks, it can be incorporated as a fragrance additive or reactive intermediate; use is subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6398.27
    methanol 8767.07
    isopropanol 3366.19
    water 0.17
    ethyl acetate 4707.52
    n-propanol 4295.79
    acetone 8862.3
    n-butanol 3174.85
    acetonitrile 4555.62
    DMF 12941.82
    toluene 1488.61
    isobutanol 2607.12
    1,4-dioxane 3965.05
    methyl acetate 3308.32
    THF 5320.89
    2-butanone 4805.84
    n-pentanol 1737.0
    sec-butanol 2506.24
    n-hexane 152.99
    ethylene glycol 738.26
    NMP 5025.33
    cyclohexane 195.43
    DMSO 12126.04
    n-butyl acetate 2294.26
    n-octanol 361.84
    chloroform 4254.41
    n-propyl acetate 1684.02
    acetic acid 2961.47
    dichloromethane 5445.06
    cyclohexanone 5185.88
    propylene glycol 1057.26
    isopropyl acetate 2150.14
    DMAc 4782.24
    2-ethoxyethanol 2045.82
    isopentanol 2288.03
    n-heptane 45.37
    ethyl formate 2025.23
    1,2-dichloroethane 5131.29
    n-hexanol 1577.03
    2-methoxyethanol 5496.12
    isobutyl acetate 920.3
    tetrachloromethane 295.42
    n-pentyl acetate 819.78
    transcutol 6941.83
    n-heptanol 381.04
    ethylbenzene 474.4
    MIBK 1625.72
    2-propoxyethanol 2582.06
    tert-butanol 2899.72
    MTBE 2929.11
    2-butoxyethanol 860.89
    propionic acid 2273.37
    o-xylene 562.16
    formic acid 900.3
    diethyl ether 3564.3
    m-xylene 785.42
    p-xylene 538.82
    chlorobenzene 1832.88
    dimethyl carbonate 1103.68
    n-octane 18.71
    formamide 2233.91
    cyclopentanone 5225.01
    2-pentanone 4235.56
    anisole 1228.3
    cyclopentyl methyl ether 2923.41
    gamma-butyrolactone 4903.0
    1-methoxy-2-propanol 3550.7
    pyridine 4652.59
    3-pentanone 2399.7
    furfural 2976.73
    n-dodecane 18.37
    diethylene glycol 1634.35
    diisopropyl ether 624.03
    tert-amyl alcohol 2043.79
    acetylacetone 3584.21
    n-hexadecane 22.3
    acetophenone 976.84
    methyl propionate 3773.49
    isopentyl acetate 1785.88
    trichloroethylene 7773.65
    n-nonanol 300.91
    cyclohexanol 2164.49
    benzyl alcohol 1020.51
    2-ethylhexanol 672.27
    isooctanol 298.98
    dipropyl ether 821.7
    1,2-dichlorobenzene 1246.37
    ethyl lactate 467.68
    propylene carbonate 1958.73
    n-methylformamide 5590.39
    2-pentanol 1727.2
    n-pentane 124.76
    1-propoxy-2-propanol 1605.73
    1-methoxy-2-propyl acetate 1777.94
    2-(2-methoxypropoxy) propanol 830.28
    mesitylene 361.59
    ε-caprolactone 3209.48
    p-cymene 203.94
    epichlorohydrin 5825.43
    1,1,1-trichloroethane 2455.88
    2-aminoethanol 1876.19
    morpholine-4-carbaldehyde 3785.05
    sulfolane 5311.86
    2,2,4-trimethylpentane 65.57
    2-methyltetrahydrofuran 4225.04
    n-hexyl acetate 1189.57
    isooctane 56.71
    2-(2-butoxyethoxy)ethanol 1378.49
    sec-butyl acetate 958.26
    tert-butyl acetate 1846.25
    decalin 95.04
    glycerin 1011.39
    diglyme 2511.43
    acrylic acid 1722.57
    isopropyl myristate 320.64
    n-butyric acid 3389.91
    acetyl acetate 1608.83
    di(2-ethylhexyl) phthalate 307.31
    ethyl propionate 1375.68
    nitromethane 6172.35
    1,2-diethoxyethane 2125.66
    benzonitrile 1444.82
    trioctyl phosphate 215.87
    1-bromopropane 2470.7
    gamma-valerolactone 5447.97
    n-decanol 214.97
    triethyl phosphate 284.11
    4-methyl-2-pentanol 649.64
    propionitrile 2940.68
    vinylene carbonate 1801.36
    1,1,2-trichlorotrifluoroethane 2590.69
    DMS 1046.5
    cumene 250.67
    2-octanol 257.28
    2-hexanone 1827.35
    octyl acetate 446.96
    limonene 389.1
    1,2-dimethoxyethane 3491.26
    ethyl orthosilicate 284.98
    tributyl phosphate 314.94
    diacetone alcohol 1773.77
    N,N-dimethylaniline 642.24
    acrylonitrile 3880.44
    aniline 2068.98
    1,3-propanediol 2407.91
    bromobenzene 2025.86
    dibromomethane 3290.35
    1,1,2,2-tetrachloroethane 5161.13
    2-methyl-cyclohexyl acetate 579.93
    tetrabutyl urea 424.8
    diisobutyl methanol 302.54
    2-phenylethanol 956.52
    styrene 818.09
    dioctyl adipate 481.88
    dimethyl sulfate 1540.12
    ethyl butyrate 999.51
    methyl lactate 1010.32
    butyl lactate 582.91
    diethyl carbonate 525.75
    propanediol butyl ether 906.3
    triethyl orthoformate 512.32
    p-tert-butyltoluene 196.46
    methyl 4-tert-butylbenzoate 559.64
    morpholine 6716.86
    tert-butylamine 1544.74
    n-dodecanol 157.29
    dimethoxymethane 4747.15
    ethylene carbonate 1597.16
    cyrene 616.66
    2-ethoxyethyl acetate 1311.56
    2-ethylhexyl acetate 1178.55
    1,2,4-trichlorobenzene 1399.44
    4-methylpyridine 4840.68
    dibutyl ether 703.25
    2,6-dimethyl-4-heptanol 302.54
    DEF 5132.91
    dimethyl isosorbide 1279.6
    tetrachloroethylene 2579.58
    eugenol 647.18
    triacetin 797.99
    span 80 687.45
    1,4-butanediol 696.1
    1,1-dichloroethane 4072.1
    2-methyl-1-pentanol 1370.35
    methyl formate 2663.05
    2-methyl-1-butanol 2294.0
    n-decane 29.15
    butyronitrile 3225.46
    3,7-dimethyl-1-octanol 443.9
    1-chlorooctane 250.38
    1-chlorotetradecane 86.32
    n-nonane 28.55
    undecane 22.37
    tert-butylcyclohexane 89.19
    cyclooctane 43.33
    cyclopentanol 2060.41
    tetrahydropyran 5075.41
    tert-amyl methyl ether 1558.95
    2,5,8-trioxanonane 1438.64
    1-hexene 971.96
    2-isopropoxyethanol 1203.86
    2,2,2-trifluoroethanol 519.46
    methyl butyrate 2121.47

    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

Botanical

Name CAS Botanical Proportion
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.2%