4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one

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  • Identifiers

    CAS number
    203300-23-6

    Molecular formula
    C23H40O3

    SMILES
    CC(C)CCCCCCCCCCCCCCCC1=C(C=COC1=O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 71.87%
    Fatty 59.42%
    Oily 36.57%
    Odorless 29.52%
    Creamy 23.56%
    Savory 23.22%
    Meaty 22.68%
    Dairy 22.61%
    Milky 22.08%
    Animal 21.0%

     

    Flavor
    Waxy 31.5%
    Bland 29.82%
    Mild 29.75%
    Fatty 26.49%
    Slightly waxy 22.75%
    Faint 22.54%
    Delicate 21.04%
    Oily 20.88%
    Odorless 20.83%
    Bay oil 20.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.3

    pKa est.
    8.45 (weak base)

    Molecular weight
    364.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    528°C

    Melting point expt.

    • 82 °C

    Flash point

    • 197.89 ˚C est.

  • Synonyms

    • 4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one
    • 203300-23-6
    • RefChem:293201
    • DTXSID201236890
    • 203300-23-6

  • Applications

    Chemical name: 4-Hydroxy-3-(16-methylheptadecyl)-2H-pyran-2-one; CAS number: 203300-23-6 is a lactone-type compound bearing a hydroxy group and a long aliphatic tail, commonly evaluated as a fragrance ingredient and a fixative in perfumery and cosmetics formulations; it may also function as a scent additive in household products such as cleaners and detergents; as an industrial intermediate it can serve as a precursor in the synthesis of specialty fragrance chemicals used in the fragrance and personal care sectors; in coatings/inks or polymer formulations it may be explored as a scent-related additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 545.29
    methanol 421.45
    isopropanol 561.82
    water 0.56
    ethyl acetate 1085.88
    n-propanol 606.45
    acetone 1556.74
    n-butanol 569.17
    acetonitrile 458.69
    DMF 1773.41
    toluene 422.29
    isobutanol 512.35
    1,4-dioxane 1153.05
    methyl acetate 852.93
    THF 3247.05
    2-butanone 1368.14
    n-pentanol 292.24
    sec-butanol 522.89
    n-hexane 43.81
    ethylene glycol 28.81
    NMP 2215.58
    cyclohexane 243.89
    DMSO 1819.51
    n-butyl acetate 742.57
    n-octanol 149.16
    chloroform 2069.7
    n-propyl acetate 848.39
    acetic acid 496.03
    dichloromethane 2497.83
    cyclohexanone 2526.55
    propylene glycol 99.02
    isopropyl acetate 815.58
    DMAc 2070.66
    2-ethoxyethanol 545.64
    isopentanol 502.76
    n-heptane 32.82
    ethyl formate 567.48
    1,2-dichloroethane 2113.65
    n-hexanol 198.87
    2-methoxyethanol 858.5
    isobutyl acetate 555.19
    tetrachloromethane 517.47
    n-pentyl acetate 813.51
    transcutol 1422.41
    n-heptanol 178.88
    ethylbenzene 169.91
    MIBK 754.41
    2-propoxyethanol 484.65
    tert-butanol 670.4
    MTBE 893.5
    2-butoxyethanol 468.4
    propionic acid 537.14
    o-xylene 268.7
    formic acid 108.94
    diethyl ether 740.51
    m-xylene 254.06
    p-xylene 268.52
    chlorobenzene 723.73
    dimethyl carbonate 298.37
    n-octane 19.22
    formamide 336.8
    cyclopentanone 2845.11
    2-pentanone 1146.55
    anisole 417.66
    cyclopentyl methyl ether 1282.5
    gamma-butyrolactone 2537.5
    1-methoxy-2-propanol 748.25
    pyridine 1304.12
    3-pentanone 864.39
    furfural 1286.4
    n-dodecane 11.6
    diethylene glycol 188.21
    diisopropyl ether 233.41
    tert-amyl alcohol 592.33
    acetylacetone 1295.03
    n-hexadecane 14.22
    acetophenone 520.67
    methyl propionate 853.55
    isopentyl acetate 723.96
    trichloroethylene 2904.99
    n-nonanol 147.91
    cyclohexanol 755.86
    benzyl alcohol 310.67
    2-ethylhexanol 171.71
    isooctanol 199.09
    dipropyl ether 361.22
    1,2-dichlorobenzene 642.71
    ethyl lactate 267.93
    propylene carbonate 1206.7
    n-methylformamide 675.64
    2-pentanol 357.88
    n-pentane 49.01
    1-propoxy-2-propanol 438.69
    1-methoxy-2-propyl acetate 712.13
    2-(2-methoxypropoxy) propanol 297.11
    mesitylene 167.27
    ε-caprolactone 1907.86
    p-cymene 113.31
    epichlorohydrin 2744.29
    1,1,1-trichloroethane 1993.8
    2-aminoethanol 149.87
    morpholine-4-carbaldehyde 1410.13
    sulfolane 3108.43
    2,2,4-trimethylpentane 40.89
    2-methyltetrahydrofuran 2127.33
    n-hexyl acetate 679.22
    isooctane 25.26
    2-(2-butoxyethoxy)ethanol 468.98
    sec-butyl acetate 586.85
    tert-butyl acetate 988.5
    decalin 56.48
    glycerin 121.14
    diglyme 1172.98
    acrylic acid 332.78
    isopropyl myristate 195.42
    n-butyric acid 1063.02
    acetyl acetate 567.76
    di(2-ethylhexyl) phthalate 157.16
    ethyl propionate 652.44
    nitromethane 1281.68
    1,2-diethoxyethane 716.59
    benzonitrile 469.53
    trioctyl phosphate 123.39
    1-bromopropane 1007.76
    gamma-valerolactone 3039.31
    n-decanol 94.9
    triethyl phosphate 226.52
    4-methyl-2-pentanol 209.9
    propionitrile 484.86
    vinylene carbonate 835.29
    1,1,2-trichlorotrifluoroethane 1194.15
    DMS 453.39
    cumene 113.97
    2-octanol 153.36
    2-hexanone 721.65
    octyl acetate 258.57
    limonene 219.34
    1,2-dimethoxyethane 1102.35
    ethyl orthosilicate 229.4
    tributyl phosphate 169.72
    diacetone alcohol 895.56
    N,N-dimethylaniline 253.23
    acrylonitrile 485.06
    aniline 534.3
    1,3-propanediol 359.41
    bromobenzene 749.77
    dibromomethane 1498.43
    1,1,2,2-tetrachloroethane 2605.53
    2-methyl-cyclohexyl acetate 432.09
    tetrabutyl urea 241.82
    diisobutyl methanol 124.78
    2-phenylethanol 256.06
    styrene 233.04
    dioctyl adipate 313.1
    dimethyl sulfate 644.02
    ethyl butyrate 569.94
    methyl lactate 306.35
    butyl lactate 453.44
    diethyl carbonate 317.85
    propanediol butyl ether 311.37
    triethyl orthoformate 373.55
    p-tert-butyltoluene 110.91
    methyl 4-tert-butylbenzoate 496.4
    morpholine 1772.33
    tert-butylamine 397.13
    n-dodecanol 66.61
    dimethoxymethane 906.27
    ethylene carbonate 871.65
    cyrene 387.32
    2-ethoxyethyl acetate 897.91
    2-ethylhexyl acetate 555.23
    1,2,4-trichlorobenzene 804.99
    4-methylpyridine 1215.13
    dibutyl ether 330.27
    2,6-dimethyl-4-heptanol 124.78
    DEF 1273.73
    dimethyl isosorbide 732.48
    tetrachloroethylene 1579.26
    eugenol 349.84
    triacetin 603.43
    span 80 285.94
    1,4-butanediol 105.16
    1,1-dichloroethane 1807.1
    2-methyl-1-pentanol 292.03
    methyl formate 447.73
    2-methyl-1-butanol 467.23
    n-decane 25.7
    butyronitrile 590.22
    3,7-dimethyl-1-octanol 175.88
    1-chlorooctane 164.2
    1-chlorotetradecane 45.94
    n-nonane 23.9
    undecane 16.09
    tert-butylcyclohexane 42.86
    cyclooctane 45.44
    cyclopentanol 868.1
    tetrahydropyran 2004.55
    tert-amyl methyl ether 625.6
    2,5,8-trioxanonane 558.17
    1-hexene 171.22
    2-isopropoxyethanol 429.38
    2,2,2-trifluoroethanol 259.5
    methyl butyrate 973.63

    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