6-Hydroxy-3,7-dimethyloctanoic acid lactone

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  • Identifiers

    CAS number
    499-54-7

    Molecular formula
    C10H18O2

    SMILES
    CC1CCC(OC(=O)C1)C(C)C

  • Odor profile

    Fragrance
    Herbal 57.79%
    Mint 57.21%
    Sweet 48.18%
    Coumarinic 42.72%
    Coconut 42.14%
    Spicy 40.68%
    Lactonic 39.93%
    Woody 37.09%
    Tobacco 36.92%
    Creamy 35.66%

     

    Flavor
    Minty 57.85%
    Herbal 51.64%
    Sweet 47.59%
    Fruity 31.37%
    Mint 31.36%
    Tobacco 28.56%
    Coumarin 28.36%
    Caramel 28.31%
    Coconut 28.27%
    Tonka 26.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.86 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 247.00 to 248.00 °C. @ 760.00 mm Hg

    Flash point

    • 97.75 ˚C est.

    Solubility expt.

    • very soluble in water and soluble in alcohol

  • Synonyms

    • Menthone lactone
    • 7-Isopropyl-4-methyloxepan-2-one
    • 499-54-7
    • 3,7-Dimethyl-6-octanolide
    • 4-Methyl-7-isopropyl-2-oxepanone
    • 2-OXEPANONE, 4-METHYL-7-(1-METHYLETHYL)-
    • 4-methyl-7-propan-2-yloxepan-2-one
    • 6-Hydroxy-3,7-dimethyloctanoic acid lactone
    • 3-Methyl-6-isopropyl-6-hexanolide
    • FEMA No. 3355
    • 4-Methyl-7-(1-methylethyl)-2-oxepanone
    • 6-Hydroxy-3,7-dimethylcaprylic acid epsilon-lactone
    • EINECS 207-882-8
    • 30YQY8O31P
    • 4-methyl-7-(propan-2-yl)oxepan-2-one
    • 4-methyl-7-(1-methylethyl)oxepan-2-one
    • CHEBI:50243
    • DTXSID70862051
    • 7-(1-METHYLETHYL)-4-METHYL-2-OXEPANONE
    • 6-HYDROXY-3,7-DIMETHYLCAPRYLIC ACID EPSILON-LAC
    • 6-HYDROXY-3,7-DIMETHYLOCTANOIC ACID LACTONE [FCC]
    • 6-HYDROXY-3,7-DIMETHYLOCTANOIC ACID LACTONE [FHFI]
    • UNII-30YQY8O31P
    • EINECS 269-768-4
    • SCHEMBL918777
    • FEMA 3355
    • DTXCID30810876
    • a 7-isopropyl-4-methyloxepan-2-one
    • 7-Isopropyl-4-methyl-2-oxepanone #
    • a 7-isopropyl-4-methyl-2-oxo-oxepanon
    • NS00012759
    • C18066
    • 4-Methyl-7-(1-methylethyl)-(4R,7S)-2-Oxepanone
    • Q27121995
    • (+/-)-6-HYDROXY-3,7-DIMETHYLOCTANOIC ACID LACTONE
    • 207-882-8

  • Applications

    6-Hydroxy-3,7-dimethyloctanoic acid lactone (CAS 499-54-7) is primarily used as a specialty fragrance ingredient and aroma chemical in perfumery, and as a fragrance component in cosmetics and personal care. It may also be employed as a scent additive in household and cleaning products. In industrial manufacturing, it serves as a chemical intermediate for the synthesis of other fragrance materials and related lactones. It can act as a building block in polymer chemistry, including the synthesis of specialty polyesters or lactone-containing polymers. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 759.36
    methanol 862.31
    isopropanol 769.7
    water 2.61
    ethyl acetate 268.43
    n-propanol 657.98
    acetone 494.91
    n-butanol 550.94
    acetonitrile 450.54
    DMF 687.75
    toluene 309.0
    isobutanol 535.45
    1,4-dioxane 740.8
    methyl acetate 324.01
    THF 968.89
    2-butanone 453.75
    n-pentanol 426.98
    sec-butanol 654.33
    n-hexane 70.07
    ethylene glycol 160.84
    NMP 677.04
    cyclohexane 130.33
    DMSO 595.55
    n-butyl acetate 372.5
    n-octanol 287.76
    chloroform 2497.92
    n-propyl acetate 234.82
    acetic acid 582.47
    dichloromethane 1544.68
    cyclohexanone 770.75
    propylene glycol 296.09
    isopropyl acetate 203.24
    DMAc 523.41
    2-ethoxyethanol 356.49
    isopentanol 436.44
    n-heptane 48.73
    ethyl formate 319.09
    1,2-dichloroethane 626.1
    n-hexanol 513.24
    2-methoxyethanol 544.76
    isobutyl acetate 182.26
    tetrachloromethane 307.77
    n-pentyl acetate 264.19
    transcutol 693.55
    n-heptanol 267.49
    ethylbenzene 199.58
    MIBK 219.7
    2-propoxyethanol 495.8
    tert-butanol 653.63
    MTBE 378.7
    2-butoxyethanol 334.65
    propionic acid 494.58
    o-xylene 227.38
    formic acid 173.12
    diethyl ether 282.32
    m-xylene 213.52
    p-xylene 276.35
    chlorobenzene 525.11
    dimethyl carbonate 102.29
    n-octane 30.5
    formamide 184.0
    cyclopentanone 774.56
    2-pentanone 308.04
    anisole 311.23
    cyclopentyl methyl ether 346.67
    gamma-butyrolactone 821.28
    1-methoxy-2-propanol 411.38
    pyridine 848.76
    3-pentanone 225.43
    furfural 823.91
    n-dodecane 32.58
    diethylene glycol 364.97
    diisopropyl ether 105.05
    tert-amyl alcohol 528.46
    acetylacetone 291.76
    n-hexadecane 37.32
    acetophenone 306.33
    methyl propionate 220.18
    isopentyl acetate 340.07
    trichloroethylene 1352.75
    n-nonanol 227.74
    cyclohexanol 527.27
    benzyl alcohol 340.7
    2-ethylhexanol 275.42
    isooctanol 212.92
    dipropyl ether 179.77
    1,2-dichlorobenzene 446.4
    ethyl lactate 160.12
    propylene carbonate 535.33
    n-methylformamide 359.27
    2-pentanol 346.73
    n-pentane 66.2
    1-propoxy-2-propanol 361.7
    1-methoxy-2-propyl acetate 272.09
    2-(2-methoxypropoxy) propanol 295.33
    mesitylene 143.27
    ε-caprolactone 619.96
    p-cymene 149.11
    epichlorohydrin 771.95
    1,1,1-trichloroethane 757.95
    2-aminoethanol 351.08
    morpholine-4-carbaldehyde 606.41
    sulfolane 914.63
    2,2,4-trimethylpentane 46.57
    2-methyltetrahydrofuran 682.01
    n-hexyl acetate 393.7
    isooctane 34.64
    2-(2-butoxyethoxy)ethanol 374.94
    sec-butyl acetate 166.29
    tert-butyl acetate 222.82
    decalin 65.06
    glycerin 307.46
    diglyme 544.15
    acrylic acid 419.43
    isopropyl myristate 159.79
    n-butyric acid 595.76
    acetyl acetate 208.04
    di(2-ethylhexyl) phthalate 185.72
    ethyl propionate 177.9
    nitromethane 540.57
    1,2-diethoxyethane 245.7
    benzonitrile 575.01
    trioctyl phosphate 140.07
    1-bromopropane 504.78
    gamma-valerolactone 842.76
    n-decanol 168.48
    triethyl phosphate 135.84
    4-methyl-2-pentanol 196.36
    propionitrile 464.88
    vinylene carbonate 531.86
    1,1,2-trichlorotrifluoroethane 624.16
    DMS 240.94
    cumene 150.79
    2-octanol 214.06
    2-hexanone 301.96
    octyl acetate 213.65
    limonene 204.47
    1,2-dimethoxyethane 535.41
    ethyl orthosilicate 124.43
    tributyl phosphate 151.58
    diacetone alcohol 291.92
    N,N-dimethylaniline 220.19
    acrylonitrile 566.95
    aniline 380.76
    1,3-propanediol 422.44
    bromobenzene 552.87
    dibromomethane 1123.75
    1,1,2,2-tetrachloroethane 1189.0
    2-methyl-cyclohexyl acetate 232.26
    tetrabutyl urea 188.92
    diisobutyl methanol 150.37
    2-phenylethanol 360.68
    styrene 254.13
    dioctyl adipate 221.57
    dimethyl sulfate 198.84
    ethyl butyrate 225.3
    methyl lactate 177.64
    butyl lactate 230.44
    diethyl carbonate 173.59
    propanediol butyl ether 365.0
    triethyl orthoformate 163.08
    p-tert-butyltoluene 141.03
    methyl 4-tert-butylbenzoate 286.02
    morpholine 819.95
    tert-butylamine 420.68
    n-dodecanol 133.57
    dimethoxymethane 262.08
    ethylene carbonate 409.56
    cyrene 288.55
    2-ethoxyethyl acetate 266.99
    2-ethylhexyl acetate 261.41
    1,2,4-trichlorobenzene 515.36
    4-methylpyridine 746.33
    dibutyl ether 200.37
    2,6-dimethyl-4-heptanol 150.37
    DEF 301.09
    dimethyl isosorbide 423.0
    tetrachloroethylene 737.21
    eugenol 296.35
    triacetin 305.13
    span 80 336.81
    1,4-butanediol 234.03
    1,1-dichloroethane 857.31
    2-methyl-1-pentanol 366.85
    methyl formate 272.35
    2-methyl-1-butanol 437.16
    n-decane 50.89
    butyronitrile 524.51
    3,7-dimethyl-1-octanol 238.8
    1-chlorooctane 184.41
    1-chlorotetradecane 82.41
    n-nonane 49.49
    undecane 39.62
    tert-butylcyclohexane 63.1
    cyclooctane 38.06
    cyclopentanol 635.03
    tetrahydropyran 737.82
    tert-amyl methyl ether 258.81
    2,5,8-trioxanonane 413.83
    1-hexene 236.1
    2-isopropoxyethanol 274.64
    2,2,2-trifluoroethanol 173.78
    methyl butyrate 280.79

    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