2H-Pyran-2-one, 6-butyl-5,6-dihydro-

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  • Identifiers

    CAS number
    16400-70-7

    Molecular formula
    C9H14O2

    SMILES
    CCCCC1CC=CC(=O)O1

    Safety labels

  • Odor profile

    Fragrance
    Coconut 80.63%
    Lactonic 67.84%
    Sweet 67.08%
    Creamy 65.11%
    Coumarinic 64.24%
    Fatty 57.62%
    Buttery 57.1%
    Fruity 54.32%
    Milky 51.1%
    Dairy 51.08%

     

    Flavor
    Herbal 41.64%
    Coconut 34.84%
    Spice 31.86%
    Fatty 31.44%
    Celery 28.98%
    Minty 27.68%
    Tonka 27.46%
    Fresh 26.34%
    Oily 25.99%
    Caramel 23.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.69 (neutral)

    Molecular weight
    154.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    282°C

    Flash point

    • 92.7 ˚C est.

  • Synonyms

    • 2H-Pyran-2-one, 6-butyl-5,6-dihydro-
    • 16400-70-7
    • 3-Butyl-3,4-dihydro-2H-pyran-2-one
    • DTXSID80884885
    • RefChem:484383
    • DTXCID001024306
    • 6-butyl-5,6-dihydro-2h-pyran-2-one
    • 2-butyl-2,3-dihydropyran-6-one
    • SCHEMBL3662595
    • FZGRTOXOBUQQAD-UHFFFAOYSA-N
    • 16400-70-7

  • Applications

    2H-Pyran-2-one, 6-butyl-5,6-dihydro- (CAS 16400-70-7) is commonly used as a fragrance ingredient and chemical intermediate in fragrance chemistry, contributing to aroma notes in perfumes and personal care formulations; it may also serve as a scent additive in household cleaners and air fresheners. The compound functions as a building block for specialty polymers and resins, enabling lactone-containing motifs in polymer syntheses. In coatings and inks, it can be employed as a fragrance additive or processing aid within formulations. It may also act as an intermediate in broader industrial manufacturing workflows, including further chemical syntheses, always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1113.03
    methanol 1294.58
    isopropanol 706.12
    water 0.21
    ethyl acetate 797.03
    n-propanol 742.27
    acetone 1729.53
    n-butanol 670.43
    acetonitrile 808.78
    DMF 2089.85
    toluene 427.13
    isobutanol 530.63
    1,4-dioxane 928.39
    methyl acetate 694.81
    THF 1517.04
    2-butanone 1031.27
    n-pentanol 467.8
    sec-butanol 566.15
    n-hexane 67.72
    ethylene glycol 192.35
    NMP 1528.4
    cyclohexane 79.68
    DMSO 3000.78
    n-butyl acetate 644.71
    n-octanol 182.56
    chloroform 2086.53
    n-propyl acetate 464.47
    acetic acid 887.58
    dichloromethane 1994.66
    cyclohexanone 1285.79
    propylene glycol 282.11
    isopropyl acetate 448.13
    DMAc 1059.94
    2-ethoxyethanol 485.66
    isopentanol 580.66
    n-heptane 21.66
    ethyl formate 469.64
    1,2-dichloroethane 1390.96
    n-hexanol 494.91
    2-methoxyethanol 935.78
    isobutyl acetate 280.98
    tetrachloromethane 189.82
    n-pentyl acetate 314.52
    transcutol 2859.14
    n-heptanol 155.56
    ethylbenzene 195.09
    MIBK 430.96
    2-propoxyethanol 681.88
    tert-butanol 709.83
    MTBE 573.13
    2-butoxyethanol 331.64
    propionic acid 694.27
    o-xylene 219.19
    formic acid 251.24
    diethyl ether 621.26
    m-xylene 274.55
    p-xylene 225.59
    chlorobenzene 713.49
    dimethyl carbonate 249.98
    n-octane 9.78
    formamide 402.4
    cyclopentanone 1573.84
    2-pentanone 895.13
    anisole 419.33
    cyclopentyl methyl ether 689.55
    gamma-butyrolactone 1648.31
    1-methoxy-2-propanol 748.37
    pyridine 1141.95
    3-pentanone 530.39
    furfural 1180.9
    n-dodecane 9.41
    diethylene glycol 499.3
    diisopropyl ether 156.34
    tert-amyl alcohol 554.4
    acetylacetone 810.65
    n-hexadecane 11.41
    acetophenone 401.43
    methyl propionate 666.38
    isopentyl acetate 526.21
    trichloroethylene 2434.83
    n-nonanol 147.03
    cyclohexanol 574.55
    benzyl alcohol 392.06
    2-ethylhexanol 254.96
    isooctanol 134.11
    dipropyl ether 228.35
    1,2-dichlorobenzene 575.08
    ethyl lactate 187.44
    propylene carbonate 732.38
    n-methylformamide 861.52
    2-pentanol 426.3
    n-pentane 49.32
    1-propoxy-2-propanol 486.03
    1-methoxy-2-propyl acetate 488.08
    2-(2-methoxypropoxy) propanol 416.68
    mesitylene 157.07
    ε-caprolactone 935.4
    p-cymene 104.27
    epichlorohydrin 1558.16
    1,1,1-trichloroethane 968.14
    2-aminoethanol 400.8
    morpholine-4-carbaldehyde 1040.95
    sulfolane 1959.39
    2,2,4-trimethylpentane 31.16
    2-methyltetrahydrofuran 1130.2
    n-hexyl acetate 486.32
    isooctane 27.46
    2-(2-butoxyethoxy)ethanol 643.22
    sec-butyl acetate 299.4
    tert-butyl acetate 466.29
    decalin 47.77
    glycerin 349.03
    diglyme 1007.33
    acrylic acid 599.78
    isopropyl myristate 147.6
    n-butyric acid 854.05
    acetyl acetate 426.62
    di(2-ethylhexyl) phthalate 173.14
    ethyl propionate 376.3
    nitromethane 1364.8
    1,2-diethoxyethane 633.37
    benzonitrile 618.44
    trioctyl phosphate 115.64
    1-bromopropane 769.84
    gamma-valerolactone 1448.45
    n-decanol 106.68
    triethyl phosphate 134.64
    4-methyl-2-pentanol 226.59
    propionitrile 580.6
    vinylene carbonate 667.63
    1,1,2-trichlorotrifluoroethane 964.14
    DMS 375.11
    cumene 124.92
    2-octanol 118.36
    2-hexanone 552.2
    octyl acetate 201.49
    limonene 158.1
    1,2-dimethoxyethane 792.53
    ethyl orthosilicate 130.7
    tributyl phosphate 162.87
    diacetone alcohol 521.32
    N,N-dimethylaniline 257.05
    acrylonitrile 836.05
    aniline 590.17
    1,3-propanediol 511.06
    bromobenzene 794.41
    dibromomethane 1350.03
    1,1,2,2-tetrachloroethane 1894.73
    2-methyl-cyclohexyl acetate 254.09
    tetrabutyl urea 211.35
    diisobutyl methanol 132.24
    2-phenylethanol 377.91
    styrene 304.2
    dioctyl adipate 244.13
    dimethyl sulfate 451.02
    ethyl butyrate 317.96
    methyl lactate 291.02
    butyl lactate 276.48
    diethyl carbonate 211.66
    propanediol butyl ether 457.61
    triethyl orthoformate 195.25
    p-tert-butyltoluene 100.54
    methyl 4-tert-butylbenzoate 292.99
    morpholine 1265.11
    tert-butylamine 402.48
    n-dodecanol 77.95
    dimethoxymethane 732.89
    ethylene carbonate 516.34
    cyrene 322.33
    2-ethoxyethyl acetate 474.78
    2-ethylhexyl acetate 372.03
    1,2,4-trichlorobenzene 700.05
    4-methylpyridine 1160.18
    dibutyl ether 253.45
    2,6-dimethyl-4-heptanol 132.24
    DEF 878.69
    dimethyl isosorbide 575.38
    tetrachloroethylene 1000.06
    eugenol 326.18
    triacetin 396.85
    span 80 345.53
    1,4-butanediol 212.54
    1,1-dichloroethane 1281.43
    2-methyl-1-pentanol 421.69
    methyl formate 550.59
    2-methyl-1-butanol 524.52
    n-decane 16.42
    butyronitrile 691.87
    3,7-dimethyl-1-octanol 215.35
    1-chlorooctane 123.12
    1-chlorotetradecane 43.42
    n-nonane 15.83
    undecane 12.02
    tert-butylcyclohexane 44.5
    cyclooctane 23.48
    cyclopentanol 651.5
    tetrahydropyran 1115.74
    tert-amyl methyl ether 377.25
    2,5,8-trioxanonane 636.32
    1-hexene 320.18
    2-isopropoxyethanol 360.62
    2,2,2-trifluoroethanol 205.61
    methyl butyrate 550.98

    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