6,6-Dimethyloxan-2-one

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  • Identifiers

    CAS number
    2610-95-9

    Molecular formula
    C7H12O2

    SMILES
    CC1(CCCC(=O)O1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Herbal 60.31%
    Mint 53.05%
    Tobacco 49.13%
    Fruity 44.72%
    Sweet 44.36%
    Coumarinic 40.68%
    Coconut 40.6%
    Woody 38.27%
    Creamy 34.97%
    Lactonic 34.7%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.25 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    228°C

    Flash point est.
    51.77 ˚C

  • Synonyms

    • 6,6-dimethyloxan-2-one
    • 2610-95-9
    • 6,6-Dimethyltetrahydro-2H-pyran-2-one
    • 2H-Pyran-2-one, tetrahydro-6,6-dimethyl-
    • 5-Methyl-5-hydroxyhexanoic acid lactone
    • 5-Methylhexan-5-olide
    • SCHEMBL494066
    • DTXSID10336781
    • NALPFDQXLZMHJD-UHFFFAOYSA-N
    • 6,6-dimethyltetrahydro-2-pyranone
    • CAA61095
    • 6,6-dimethyl-tetrahydro-pyran-2-one
    • Tetrahydro-6,6-dimethyl-2H-pyran-2-one
    • 6,6-Dimethyltetrahydro-2H-pyran-2-one #
    • DB-086588
    • EN300-212180
    • 877-453-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 542.47
    methanol 792.02
    isopropanol 387.91
    water 25.69
    ethyl acetate 308.1
    n-propanol 363.95
    acetone 392.59
    n-butanol 292.31
    acetonitrile 354.65
    DMF 412.19
    toluene 123.64
    isobutanol 235.35
    1,4-dioxane 507.78
    methyl acetate 312.89
    THF 648.89
    2-butanone 272.83
    n-pentanol 192.55
    sec-butanol 299.76
    n-hexane 50.65
    ethylene glycol 179.41
    NMP 524.32
    cyclohexane 51.02
    DMSO 335.55
    n-butyl acetate 166.59
    n-octanol 161.28
    chloroform 985.29
    n-propyl acetate 126.46
    acetic acid 829.95
    dichloromethane 644.45
    cyclohexanone 381.35
    propylene glycol 218.83
    isopropyl acetate 173.81
    DMAc 410.65
    2-ethoxyethanol 255.72
    isopentanol 211.21
    n-heptane 26.25
    ethyl formate 204.02
    1,2-dichloroethane 271.72
    n-hexanol 272.06
    2-methoxyethanol 498.98
    isobutyl acetate 92.96
    tetrachloromethane 107.47
    n-pentyl acetate 134.41
    transcutol 948.66
    n-heptanol 114.69
    ethylbenzene 64.87
    MIBK 127.67
    2-propoxyethanol 427.05
    tert-butanol 389.18
    MTBE 234.25
    2-butoxyethanol 189.62
    propionic acid 436.84
    o-xylene 98.02
    formic acid 362.64
    diethyl ether 280.8
    m-xylene 107.66
    p-xylene 95.64
    chlorobenzene 198.93
    dimethyl carbonate 102.8
    n-octane 12.62
    formamide 264.29
    cyclopentanone 417.72
    2-pentanone 224.7
    anisole 141.42
    cyclopentyl methyl ether 258.57
    gamma-butyrolactone 576.78
    1-methoxy-2-propanol 368.49
    pyridine 278.22
    3-pentanone 177.79
    furfural 431.15
    n-dodecane 13.77
    diethylene glycol 347.72
    diisopropyl ether 85.49
    tert-amyl alcohol 307.31
    acetylacetone 270.02
    n-hexadecane 15.29
    acetophenone 136.04
    methyl propionate 228.64
    isopentyl acetate 145.77
    trichloroethylene 550.01
    n-nonanol 135.35
    cyclohexanol 251.47
    benzyl alcohol 133.65
    2-ethylhexanol 120.1
    isooctanol 83.48
    dipropyl ether 116.41
    1,2-dichlorobenzene 172.96
    ethyl lactate 93.28
    propylene carbonate 304.52
    n-methylformamide 287.01
    2-pentanol 195.15
    n-pentane 44.62
    1-propoxy-2-propanol 248.5
    1-methoxy-2-propyl acetate 195.26
    2-(2-methoxypropoxy) propanol 212.52
    mesitylene 68.95
    ε-caprolactone 365.85
    p-cymene 53.53
    epichlorohydrin 416.31
    1,1,1-trichloroethane 334.62
    2-aminoethanol 285.96
    morpholine-4-carbaldehyde 487.88
    sulfolane 483.87
    2,2,4-trimethylpentane 23.46
    2-methyltetrahydrofuran 434.65
    n-hexyl acetate 254.71
    isooctane 16.64
    2-(2-butoxyethoxy)ethanol 294.77
    sec-butyl acetate 102.99
    tert-butyl acetate 175.66
    decalin 27.07
    glycerin 281.1
    diglyme 398.0
    acrylic acid 390.85
    isopropyl myristate 92.93
    n-butyric acid 405.82
    acetyl acetate 237.99
    di(2-ethylhexyl) phthalate 90.62
    ethyl propionate 126.6
    nitromethane 681.06
    1,2-diethoxyethane 223.69
    benzonitrile 187.53
    trioctyl phosphate 66.23
    1-bromopropane 204.27
    gamma-valerolactone 527.68
    n-decanol 96.41
    triethyl phosphate 68.13
    4-methyl-2-pentanol 106.58
    propionitrile 243.54
    vinylene carbonate 274.21
    1,1,2-trichlorotrifluoroethane 357.61
    DMS 182.89
    cumene 55.28
    2-octanol 84.74
    2-hexanone 138.52
    octyl acetate 122.92
    limonene 78.94
    1,2-dimethoxyethane 325.51
    ethyl orthosilicate 66.58
    tributyl phosphate 86.69
    diacetone alcohol 213.0
    N,N-dimethylaniline 102.37
    acrylonitrile 277.26
    aniline 177.93
    1,3-propanediol 308.47
    bromobenzene 183.37
    dibromomethane 432.17
    1,1,2,2-tetrachloroethane 459.53
    2-methyl-cyclohexyl acetate 112.93
    tetrabutyl urea 101.5
    diisobutyl methanol 66.92
    2-phenylethanol 161.08
    styrene 74.47
    dioctyl adipate 123.77
    dimethyl sulfate 163.98
    ethyl butyrate 108.57
    methyl lactate 146.95
    butyl lactate 116.56
    diethyl carbonate 83.83
    propanediol butyl ether 229.8
    triethyl orthoformate 86.4
    p-tert-butyltoluene 56.27
    methyl 4-tert-butylbenzoate 155.25
    morpholine 512.32
    tert-butylamine 240.36
    n-dodecanol 70.92
    dimethoxymethane 267.3
    ethylene carbonate 226.2
    cyrene 163.86
    2-ethoxyethyl acetate 195.41
    2-ethylhexyl acetate 118.34
    1,2,4-trichlorobenzene 220.28
    4-methylpyridine 298.78
    dibutyl ether 122.63
    2,6-dimethyl-4-heptanol 66.92
    DEF 237.1
    dimethyl isosorbide 298.02
    tetrachloroethylene 279.96
    eugenol 146.18
    triacetin 217.45
    span 80 199.66
    1,4-butanediol 130.18
    1,1-dichloroethane 377.24
    2-methyl-1-pentanol 155.22
    methyl formate 226.22
    2-methyl-1-butanol 220.66
    n-decane 22.01
    butyronitrile 225.62
    3,7-dimethyl-1-octanol 133.36
    1-chlorooctane 82.73
    1-chlorotetradecane 34.99
    n-nonane 21.37
    undecane 16.88
    tert-butylcyclohexane 28.92
    cyclooctane 18.64
    cyclopentanol 285.03
    tetrahydropyran 381.48
    tert-amyl methyl ether 179.46
    2,5,8-trioxanonane 302.8
    1-hexene 118.38
    2-isopropoxyethanol 177.16
    2,2,2-trifluoroethanol 253.44
    methyl butyrate 149.77

    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
Fenugreek 1a headspace 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 2.5%