alpha-Hexyl-gamma-butyrolactone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    18436-37-8

    Molecular formula
    C10H18O2

    SMILES
    CCCCCCC1CCOC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 79.75%
    Sweet 73.96%
    Floral 69.61%
    Green 67.01%
    Coconut 65.39%
    Fatty 61.86%
    Waxy 60.69%
    Peach 60.25%
    Creamy 57.48%
    Lactonic 57.46%

     

    Flavor
    Creamy 72.08%
    Waxy 68.99%
    Coconut 68.93%
    Fatty 68.2%
    Peach 68.04%
    Fruity 65.54%
    Sweet 63.47%
    Oily 60.0%
    Fresh 44.75%
    Buttery 43.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.1 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 103.16 ˚C est.

  • Synonyms

    • alpha-Hexyl-gamma-butyrolactone
    • 18436-37-8
    • 3-Hexyldihydrofuran-2(3H)-one
    • 3-hexyloxolan-2-one
    • alpha-Decalactone
    • 2(3H)-Furanone, 3-hexyldihydro-
    • 3-Hexyldihydro-2(3H)-furanone
    • 4J0O5KWX81
    • DTXSID7047437
    • EINECS 242-316-3
    • DTXCID5027437
    • .ALPHA.-HEXYL-.GAMMA.-BUTYROLACTONE
    • .ALPHA.-HEXYL-.GAMMA.-BUTYROLACTONE, (+/-)-
    • OCTANOIC ACID, 2-(2-HYDROXYETHYL)-, .GAMMA.-LACTONE
    • hexyldihydrofuranone
    • a-hexylbutyrolactone
    • hexyl gamma-butyrolactone
    • UNII-4J0O5KWX81
    • SCHEMBL663700
    • CHEMBL478639
    • IBVDLVUXSDSVQF-UHFFFAOYSA-
    • 3-Hexyldihydro-2(3H)-furanone #
    • Tox21_301140
    • NCGC00248306-01
    • NCGC00255038-01
    • CAS-18436-37-8
    • NS00012603
    • ALPHA-HEXYL-GAMMA-BUTYROLACTONE, (+/-)-
    • OCTANOIC ACID, 2-(2-HYDROXYETHYL)-, GAMMA-LACTONE
    • InChI=1/C10H18O2/c1-2-3-4-5-6-9-7-8-12-10(9)11/h9H,2-8H2,1H3
    • 264-169-4

  • Applications

    alpha-Hexyl-gamma-butyrolactone (CAS 18436-37-8) is used as a specialty solvent and chemical intermediate in industrial manufacturing; it can serve as a plasticizer or co-plasticizer for polymers; in perfumery, cosmetics, and personal care it may function as a fragrance ingredient or formulation solvent; in coatings and inks it is employed as a processing aid or solvent; and it may appear as a precursor in organic synthesis or as a cleaning solvent in certain formulations, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7423.09
    methanol 8464.02
    isopropanol 6144.76
    water 0.22
    ethyl acetate 9437.15
    n-propanol 5228.79
    acetone 12195.93
    n-butanol 4751.85
    acetonitrile 8314.2
    DMF 6850.35
    toluene 2252.27
    isobutanol 4114.33
    1,4-dioxane 6877.72
    methyl acetate 5657.38
    THF 8506.57
    2-butanone 7538.32
    n-pentanol 2867.22
    sec-butanol 4288.04
    n-hexane 392.95
    ethylene glycol 573.63
    NMP 3497.41
    cyclohexane 545.03
    DMSO 7062.67
    n-butyl acetate 5117.45
    n-octanol 839.72
    chloroform 11380.55
    n-propyl acetate 4973.88
    acetic acid 4235.82
    dichloromethane 10970.5
    cyclohexanone 7632.5
    propylene glycol 1071.0
    isopropyl acetate 5887.12
    DMAc 3663.41
    2-ethoxyethanol 3564.04
    isopentanol 4500.14
    n-heptane 112.32
    ethyl formate 3852.81
    1,2-dichloroethane 7702.49
    n-hexanol 2436.5
    2-methoxyethanol 6225.3
    isobutyl acetate 2683.43
    tetrachloromethane 1348.14
    n-pentyl acetate 2258.48
    transcutol 11888.75
    n-heptanol 857.1
    ethylbenzene 987.75
    MIBK 3539.58
    2-propoxyethanol 3961.11
    tert-butanol 6328.14
    MTBE 7527.51
    2-butoxyethanol 1932.61
    propionic acid 3389.77
    o-xylene 995.22
    formic acid 1002.06
    diethyl ether 7468.46
    m-xylene 1299.47
    p-xylene 1260.16
    chlorobenzene 3464.74
    dimethyl carbonate 1330.29
    n-octane 55.81
    formamide 1931.81
    cyclopentanone 7008.46
    2-pentanone 6992.09
    anisole 2410.83
    cyclopentyl methyl ether 4303.83
    gamma-butyrolactone 7065.38
    1-methoxy-2-propanol 4768.42
    pyridine 6866.04
    3-pentanone 3853.07
    furfural 4890.39
    n-dodecane 48.16
    diethylene glycol 2180.46
    diisopropyl ether 1714.44
    tert-amyl alcohol 4186.16
    acetylacetone 5989.51
    n-hexadecane 60.2
    acetophenone 1959.77
    methyl propionate 4730.16
    isopentyl acetate 4122.22
    trichloroethylene 12301.74
    n-nonanol 715.44
    cyclohexanol 3326.56
    benzyl alcohol 1793.34
    2-ethylhexanol 1299.75
    isooctanol 762.66
    dipropyl ether 1754.12
    1,2-dichlorobenzene 2661.33
    ethyl lactate 1057.74
    propylene carbonate 3672.84
    n-methylformamide 3875.9
    2-pentanol 3301.72
    n-pentane 307.2
    1-propoxy-2-propanol 2921.04
    1-methoxy-2-propyl acetate 3619.55
    2-(2-methoxypropoxy) propanol 1584.1
    mesitylene 778.24
    ε-caprolactone 5903.38
    p-cymene 453.01
    epichlorohydrin 8398.0
    1,1,1-trichloroethane 6759.65
    2-aminoethanol 1758.5
    morpholine-4-carbaldehyde 4395.22
    sulfolane 5707.66
    2,2,4-trimethylpentane 173.08
    2-methyltetrahydrofuran 7087.36
    n-hexyl acetate 2661.51
    isooctane 168.0
    2-(2-butoxyethoxy)ethanol 2477.58
    sec-butyl acetate 3237.35
    tert-butyl acetate 4643.9
    decalin 263.93
    glycerin 1158.8
    diglyme 4475.79
    acrylic acid 2309.36
    isopropyl myristate 757.54
    n-butyric acid 6682.54
    acetyl acetate 3714.98
    di(2-ethylhexyl) phthalate 615.59
    ethyl propionate 3469.21
    nitromethane 7673.39
    1,2-diethoxyethane 4769.64
    benzonitrile 3205.31
    trioctyl phosphate 431.35
    1-bromopropane 4881.3
    gamma-valerolactone 7597.48
    n-decanol 490.0
    triethyl phosphate 627.06
    4-methyl-2-pentanol 1568.91
    propionitrile 5750.69
    vinylene carbonate 3208.54
    1,1,2-trichlorotrifluoroethane 4230.82
    DMS 1925.09
    cumene 603.79
    2-octanol 653.31
    2-hexanone 4016.12
    octyl acetate 912.06
    limonene 732.59
    1,2-dimethoxyethane 6278.14
    ethyl orthosilicate 651.78
    tributyl phosphate 663.06
    diacetone alcohol 3364.9
    N,N-dimethylaniline 1143.17
    acrylonitrile 5895.46
    aniline 2960.6
    1,3-propanediol 2817.86
    bromobenzene 3872.21
    dibromomethane 7406.04
    1,1,2,2-tetrachloroethane 8788.64
    2-methyl-cyclohexyl acetate 1294.61
    tetrabutyl urea 740.89
    diisobutyl methanol 734.29
    2-phenylethanol 1655.95
    styrene 1645.58
    dioctyl adipate 992.92
    dimethyl sulfate 1573.64
    ethyl butyrate 2470.94
    methyl lactate 1450.53
    butyl lactate 1398.21
    diethyl carbonate 1388.18
    propanediol butyl ether 1676.6
    triethyl orthoformate 1306.25
    p-tert-butyltoluene 452.03
    methyl 4-tert-butylbenzoate 1240.99
    morpholine 9484.09
    tert-butylamine 3674.8
    n-dodecanol 345.06
    dimethoxymethane 4674.5
    ethylene carbonate 3057.1
    cyrene 1029.46
    2-ethoxyethyl acetate 3029.46
    2-ethylhexyl acetate 2671.14
    1,2,4-trichlorobenzene 2880.3
    4-methylpyridine 6830.69
    dibutyl ether 1769.74
    2,6-dimethyl-4-heptanol 734.29
    DEF 5850.31
    dimethyl isosorbide 2220.77
    tetrachloroethylene 5381.12
    eugenol 1222.42
    triacetin 1835.21
    span 80 1316.76
    1,4-butanediol 1013.74
    1,1-dichloroethane 9190.98
    2-methyl-1-pentanol 2596.57
    methyl formate 2572.71
    2-methyl-1-butanol 3724.43
    n-decane 91.81
    butyronitrile 6537.77
    3,7-dimethyl-1-octanol 1063.7
    1-chlorooctane 626.7
    1-chlorotetradecane 206.02
    n-nonane 87.59
    undecane 63.42
    tert-butylcyclohexane 259.59
    cyclooctane 139.18
    cyclopentanol 3247.21
    tetrahydropyran 8239.15
    tert-amyl methyl ether 3502.72
    2,5,8-trioxanonane 2464.0
    1-hexene 2139.09
    2-isopropoxyethanol 2680.52
    2,2,2-trifluoroethanol 1047.73
    methyl butyrate 5142.3

    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