2H-Pyran-2-one, 5-butyl-5-ethyltetrahydro-

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  • Identifiers

    CAS number
    67770-79-0

    Molecular formula
    C11H20O2

    SMILES
    CCCCC1(CCC(=O)OC1)CC

  • Odor profile

    Fragrance
    Fatty 62.19%
    Coconut 55.12%
    Lactonic 53.06%
    Creamy 49.0%
    Milky 41.04%
    Dairy 40.41%
    Sweet 39.2%
    Oily 38.1%
    Spicy 35.84%
    Waxy 35.46%

     

    Flavor
    Coconut 57.82%
    Fruity 56.14%
    Sweet 52.49%
    Creamy 51.17%
    Peach 50.56%
    Fatty 47.99%
    Waxy 45.42%
    Fresh 41.01%
    Oily 40.1%
    Fruit 33.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.35 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    267°C

    Flash point

    • 103.13 ˚C est.

  • Synonyms

    • 67770-79-0
    • Ethyl butyl valerolactone
    • 2H-Pyran-2-one, 5-butyl-5-ethyltetrahydro-
    • 5-butyl-5-ethyloxan-2-one
    • 4-Ethyl-4-butyl-delta-valerolactone
    • UNII-EZ42EBM554
    • EZ42EBM554
    • 5-Butyl-5-ethyltetrahydro-2H-pyran-2-one
    • EINECS 267-048-4
    • DTXSID90886875
    • 2H-Pyran-2-one, tetrahydro-5-(n-butyl)-5-ethyl-
    • (+/-)-ETHYL BUTYL VALEROLACTONE
    • OCTANOIC ACID, 4-ETHYL-4-(HYDROXYMETHYL)-, .DELTA.-LACTONE
    • CAPRYLIC ACID, .GAMMA.-ETHYL-.GAMMA.-(HYDROXYMETHYL)-, .DELTA.-LACTONE
    • costus valerolactone
    • 2H-Pyran-2-one,5-butyl-5-ethyltetrahydro-
    • SCHEMBL1605320
    • BACWTVIXOCGZHC-UHFFFAOYSA-N
    • DTXCID401026192
    • AKOS006271672
    • ETHYL BUTYL VALEROLACTONE [INCI]
    • NS00012379
    • Q27277440
    • OCTANOIC ACID, 4-ETHYL-4-(HYDROXYMETHYL)-, DELTA-LACTONE
    • CAPRYLIC ACID, GAMMA-ETHYL-GAMMA-(HYDROXYMETHYL)-, DELTA-LACTONE

  • Applications

    2H-Pyran-2-one, 5-butyl-5-ethyltetrahydro-, CAS 67770-79-0, is a versatile intermediate and additive used across several industries; in the fragrance and flavor sectors it can function as an odor-active component or a fixing agent; in cosmetics and personal care it is evaluated as a fragrance ingredient; in industrial manufacturing and coatings, inks, and adhesives it can serve as a processing solvent or a synthetic building block; in polymers and plastics chemistry it may act as a precursor or building block for specialty polymers; in cleaning formulations it may appear as a fragrance additive or solvent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2357.9
    methanol 2019.9
    isopropanol 2562.44
    water 0.29
    ethyl acetate 2844.54
    n-propanol 2039.23
    acetone 2849.96
    n-butanol 1564.73
    acetonitrile 2351.93
    DMF 2426.87
    toluene 879.41
    isobutanol 1501.26
    1,4-dioxane 2639.27
    methyl acetate 2119.99
    THF 2957.32
    2-butanone 2596.59
    n-pentanol 913.88
    sec-butanol 1567.65
    n-hexane 61.79
    ethylene glycol 197.79
    NMP 1335.08
    cyclohexane 172.02
    DMSO 2098.0
    n-butyl acetate 1861.29
    n-octanol 455.52
    chloroform 4532.27
    n-propyl acetate 1343.73
    acetic acid 1097.53
    dichloromethane 4200.76
    cyclohexanone 2766.48
    propylene glycol 421.62
    isopropyl acetate 1674.94
    DMAc 1383.19
    2-ethoxyethanol 979.04
    isopentanol 1331.18
    n-heptane 41.26
    ethyl formate 1548.06
    1,2-dichloroethane 2541.34
    n-hexanol 1189.07
    2-methoxyethanol 1817.2
    isobutyl acetate 807.31
    tetrachloromethane 493.24
    n-pentyl acetate 862.86
    transcutol 3896.14
    n-heptanol 429.15
    ethylbenzene 415.99
    MIBK 1061.99
    2-propoxyethanol 1522.78
    tert-butanol 2460.0
    MTBE 2150.85
    2-butoxyethanol 756.85
    propionic acid 1253.17
    o-xylene 517.44
    formic acid 282.93
    diethyl ether 1711.18
    m-xylene 604.71
    p-xylene 543.7
    chlorobenzene 1407.38
    dimethyl carbonate 474.48
    n-octane 25.89
    formamide 531.74
    cyclopentanone 2804.31
    2-pentanone 1995.44
    anisole 933.15
    cyclopentyl methyl ether 1307.58
    gamma-butyrolactone 2856.36
    1-methoxy-2-propanol 1541.37
    pyridine 2274.31
    3-pentanone 1171.39
    furfural 1990.05
    n-dodecane 27.16
    diethylene glycol 782.31
    diisopropyl ether 468.04
    tert-amyl alcohol 1529.66
    acetylacetone 1750.13
    n-hexadecane 33.37
    acetophenone 795.17
    methyl propionate 1507.93
    isopentyl acetate 1490.36
    trichloroethylene 4428.29
    n-nonanol 372.75
    cyclohexanol 1125.93
    benzyl alcohol 683.33
    2-ethylhexanol 601.52
    isooctanol 365.23
    dipropyl ether 598.46
    1,2-dichlorobenzene 1140.75
    ethyl lactate 383.45
    propylene carbonate 1607.3
    n-methylformamide 1389.62
    2-pentanol 1060.44
    n-pentane 67.98
    1-propoxy-2-propanol 1160.77
    1-methoxy-2-propyl acetate 1324.77
    2-(2-methoxypropoxy) propanol 701.15
    mesitylene 367.08
    ε-caprolactone 2262.37
    p-cymene 264.15
    epichlorohydrin 3199.13
    1,1,1-trichloroethane 2363.91
    2-aminoethanol 635.7
    morpholine-4-carbaldehyde 1640.76
    sulfolane 2276.06
    2,2,4-trimethylpentane 59.6
    2-methyltetrahydrofuran 2362.69
    n-hexyl acetate 1134.45
    isooctane 59.34
    2-(2-butoxyethoxy)ethanol 1043.07
    sec-butyl acetate 904.24
    tert-butyl acetate 1398.09
    decalin 82.91
    glycerin 408.06
    diglyme 1794.64
    acrylic acid 791.74
    isopropyl myristate 371.51
    n-butyric acid 2145.45
    acetyl acetate 1195.17
    di(2-ethylhexyl) phthalate 315.16
    ethyl propionate 1048.05
    nitromethane 2297.69
    1,2-diethoxyethane 1405.77
    benzonitrile 1312.11
    trioctyl phosphate 238.35
    1-bromopropane 1615.02
    gamma-valerolactone 2900.33
    n-decanol 264.98
    triethyl phosphate 289.35
    4-methyl-2-pentanol 573.64
    propionitrile 2068.72
    vinylene carbonate 1454.38
    1,1,2-trichlorotrifluoroethane 1335.93
    DMS 761.35
    cumene 280.4
    2-octanol 323.53
    2-hexanone 1106.17
    octyl acetate 462.63
    limonene 392.97
    1,2-dimethoxyethane 1764.13
    ethyl orthosilicate 279.85
    tributyl phosphate 324.96
    diacetone alcohol 1131.11
    N,N-dimethylaniline 465.65
    acrylonitrile 2106.87
    aniline 1110.93
    1,3-propanediol 998.63
    bromobenzene 1565.59
    dibromomethane 2693.06
    1,1,2,2-tetrachloroethane 3041.96
    2-methyl-cyclohexyl acetate 597.77
    tetrabutyl urea 366.68
    diisobutyl methanol 320.4
    2-phenylethanol 720.39
    styrene 604.7
    dioctyl adipate 488.86
    dimethyl sulfate 595.14
    ethyl butyrate 957.83
    methyl lactate 515.95
    butyl lactate 582.18
    diethyl carbonate 573.6
    propanediol butyl ether 712.95
    triethyl orthoformate 518.74
    p-tert-butyltoluene 261.51
    methyl 4-tert-butylbenzoate 637.64
    morpholine 3202.47
    tert-butylamine 1459.22
    n-dodecanol 189.29
    dimethoxymethane 1382.2
    ethylene carbonate 1311.02
    cyrene 477.56
    2-ethoxyethyl acetate 1086.01
    2-ethylhexyl acetate 1011.82
    1,2,4-trichlorobenzene 1264.5
    4-methylpyridine 2265.81
    dibutyl ether 615.24
    2,6-dimethyl-4-heptanol 320.4
    DEF 1683.89
    dimethyl isosorbide 1048.41
    tetrachloroethylene 1771.2
    eugenol 595.99
    triacetin 825.98
    span 80 619.21
    1,4-butanediol 328.4
    1,1-dichloroethane 3155.69
    2-methyl-1-pentanol 757.71
    methyl formate 986.78
    2-methyl-1-butanol 1111.08
    n-decane 48.66
    butyronitrile 2204.76
    3,7-dimethyl-1-octanol 498.78
    1-chlorooctane 308.35
    1-chlorotetradecane 107.13
    n-nonane 44.31
    undecane 34.99
    tert-butylcyclohexane 82.92
    cyclooctane 46.46
    cyclopentanol 1264.11
    tetrahydropyran 2799.87
    tert-amyl methyl ether 1052.66
    2,5,8-trioxanonane 1075.8
    1-hexene 431.94
    2-isopropoxyethanol 766.0
    2,2,2-trifluoroethanol 295.77
    methyl butyrate 1554.6

    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