2(3H)-Benzofuranone, hexahydro-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6051-03-2

    Molecular formula
    C8H12O2

    SMILES
    C1CCC2C(C1)CC(=O)O2

  • Odor profile

    Coconut 74.76%
    Coumarinic 74.08%
    Sweet 65.69%
    Herbal 64.09%
    Spicy 63.29%
    Woody 63.06%
    Lactonic 59.28%
    Creamy 50.09%
    Tobacco 45.36%
    Hay 44.69%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    140.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point est.
    131.36 ˚C

  • Synonyms

    • 2(3H)-Benzofuranone, hexahydro-
    • 6051-03-2
    • Hexahydro-3H-benzofuran-2-one
    • 3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
    • DTXSID8052271
    • EINECS 227-955-8
    • NSC 127884
    • AI3-07059
    • NSC 126359
    • Cyclohexaneacetic acid, 2-hydroxy-, gamma-lactone
    • trans-Hexahydro-2(3H)-benzofuranone
    • 2(3H)-Benzofuranone, hexahydro-, trans-
    • hexahydrobenzofuranone
    • Hexahydro-benzofuran-2-one
    • SCHEMBL1457085
    • DTXCID8030843
    • Hexahydro-1-benzofuran-2(3H)-one
    • NSC126360
    • NSC127884
    • AKOS015905265
    • Hexahydro-1-benzofuran-2(3H)-one #
    • NSC-126360
    • NSC-127884
    • NS00012536
    • Cyclohexaneacetic acid, 2-hydroxy-, .gamma.-lactone
    • 227-955-8
    • 24871-12-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 408.27
    methanol 492.1
    isopropanol 319.65
    water 3.6
    ethyl acetate 480.05
    n-propanol 338.33
    acetone 470.21
    n-butanol 200.28
    acetonitrile 596.18
    DMF 675.89
    toluene 152.48
    isobutanol 208.57
    1,4-dioxane 1084.98
    methyl acetate 472.14
    THF 510.63
    2-butanone 375.11
    n-pentanol 147.35
    sec-butanol 218.78
    n-hexane 6.57
    ethylene glycol 230.44
    NMP 380.1
    cyclohexane 16.88
    DMSO 616.24
    n-butyl acetate 187.39
    n-octanol 120.31
    chloroform 1288.64
    n-propyl acetate 150.56
    acetic acid 540.49
    dichloromethane 878.24
    cyclohexanone 383.79
    propylene glycol 242.9
    isopropyl acetate 216.55
    DMAc 381.96
    2-ethoxyethanol 321.64
    isopentanol 169.85
    n-heptane 7.09
    ethyl formate 243.51
    1,2-dichloroethane 459.77
    n-hexanol 195.3
    2-methoxyethanol 573.72
    isobutyl acetate 95.03
    tetrachloromethane 83.54
    n-pentyl acetate 137.56
    transcutol 2080.99
    n-heptanol 90.61
    ethylbenzene 68.59
    MIBK 142.44
    2-propoxyethanol 416.67
    tert-butanol 272.28
    MTBE 164.45
    2-butoxyethanol 228.57
    propionic acid 426.83
    o-xylene 87.11
    formic acid 276.53
    diethyl ether 236.45
    m-xylene 103.86
    p-xylene 96.49
    chlorobenzene 292.42
    dimethyl carbonate 170.62
    n-octane 5.17
    formamide 360.35
    cyclopentanone 431.36
    2-pentanone 240.83
    anisole 209.15
    cyclopentyl methyl ether 186.41
    gamma-butyrolactone 556.28
    1-methoxy-2-propanol 439.84
    pyridine 690.54
    3-pentanone 186.89
    furfural 602.01
    n-dodecane 7.84
    diethylene glycol 473.89
    diisopropyl ether 56.27
    tert-amyl alcohol 171.16
    acetylacetone 367.77
    n-hexadecane 9.05
    acetophenone 179.97
    methyl propionate 337.04
    isopentyl acetate 161.08
    trichloroethylene 950.7
    n-nonanol 102.09
    cyclohexanol 169.58
    benzyl alcohol 191.16
    2-ethylhexanol 87.86
    isooctanol 73.1
    dipropyl ether 79.29
    1,2-dichlorobenzene 237.6
    ethyl lactate 114.02
    propylene carbonate 294.74
    n-methylformamide 452.47
    2-pentanol 130.79
    n-pentane 7.96
    1-propoxy-2-propanol 247.83
    1-methoxy-2-propyl acetate 256.75
    2-(2-methoxypropoxy) propanol 286.48
    mesitylene 65.69
    ε-caprolactone 376.09
    p-cymene 44.09
    epichlorohydrin 633.95
    1,1,1-trichloroethane 337.46
    2-aminoethanol 350.33
    morpholine-4-carbaldehyde 655.09
    sulfolane 434.01
    2,2,4-trimethylpentane 6.49
    2-methyltetrahydrofuran 337.74
    n-hexyl acetate 235.63
    isooctane 6.77
    2-(2-butoxyethoxy)ethanol 455.92
    sec-butyl acetate 108.7
    tert-butyl acetate 171.43
    decalin 11.74
    glycerin 344.23
    diglyme 718.87
    acrylic acid 412.33
    isopropyl myristate 80.66
    n-butyric acid 379.42
    acetyl acetate 285.66
    di(2-ethylhexyl) phthalate 94.98
    ethyl propionate 145.65
    nitromethane 970.91
    1,2-diethoxyethane 367.36
    benzonitrile 329.6
    trioctyl phosphate 61.31
    1-bromopropane 186.89
    gamma-valerolactone 686.41
    n-decanol 76.56
    triethyl phosphate 63.37
    4-methyl-2-pentanol 86.93
    propionitrile 366.47
    vinylene carbonate 341.89
    1,1,2-trichlorotrifluoroethane 437.17
    DMS 235.47
    cumene 48.45
    2-octanol 66.7
    2-hexanone 140.69
    octyl acetate 107.63
    limonene 51.92
    1,2-dimethoxyethane 417.69
    ethyl orthosilicate 59.02
    tributyl phosphate 76.9
    diacetone alcohol 220.72
    N,N-dimethylaniline 112.74
    acrylonitrile 558.97
    aniline 266.96
    1,3-propanediol 346.57
    bromobenzene 296.16
    dibromomethane 481.49
    1,1,2,2-tetrachloroethane 683.44
    2-methyl-cyclohexyl acetate 96.06
    tetrabutyl urea 96.4
    diisobutyl methanol 56.47
    2-phenylethanol 191.84
    styrene 97.45
    dioctyl adipate 115.42
    dimethyl sulfate 206.84
    ethyl butyrate 116.48
    methyl lactate 201.13
    butyl lactate 138.88
    diethyl carbonate 92.84
    propanediol butyl ether 299.31
    triethyl orthoformate 88.11
    p-tert-butyltoluene 40.95
    methyl 4-tert-butylbenzoate 163.71
    morpholine 882.8
    tert-butylamine 132.28
    n-dodecanol 57.65
    dimethoxymethane 377.64
    ethylene carbonate 280.54
    cyrene 167.83
    2-ethoxyethyl acetate 294.81
    2-ethylhexyl acetate 117.07
    1,2,4-trichlorobenzene 281.6
    4-methylpyridine 458.68
    dibutyl ether 109.77
    2,6-dimethyl-4-heptanol 56.47
    DEF 258.4
    dimethyl isosorbide 312.46
    tetrachloroethylene 392.34
    eugenol 198.2
    triacetin 240.4
    span 80 218.48
    1,4-butanediol 150.25
    1,1-dichloroethane 497.9
    2-methyl-1-pentanol 122.75
    methyl formate 326.51
    2-methyl-1-butanol 149.49
    n-decane 11.33
    butyronitrile 261.53
    3,7-dimethyl-1-octanol 117.13
    1-chlorooctane 59.75
    1-chlorotetradecane 26.57
    n-nonane 9.96
    undecane 9.25
    tert-butylcyclohexane 10.6
    cyclooctane 6.29
    cyclopentanol 218.23
    tetrahydropyran 478.02
    tert-amyl methyl ether 99.46
    2,5,8-trioxanonane 515.41
    1-hexene 38.9
    2-isopropoxyethanol 211.87
    2,2,2-trifluoroethanol 220.21
    methyl butyrate 167.26

    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