delta-Heptalactone

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  • Identifiers

    CAS number
    3301-90-4

    Molecular formula
    C7H12O2

    SMILES
    CCC1CCCC(=O)O1

  • Odor profile

    Fragrance
    Coconut 73.91%
    Coumarinic 67.12%
    Sweet 65.47%
    Creamy 60.38%
    Lactonic 59.81%
    Herbal 56.51%
    Fatty 52.98%
    Oily 50.87%
    Nutty 46.79%
    Woody 46.49%

     

    Flavor
    Sweet 85.96%
    Herbal 64.29%
    Coconut 60.79%
    Tonka 49.83%
    Coumarin 48.81%
    Tobacco 46.91%
    Caramel 43.59%
    Minty 37.38%
    Creamy 31.49%
    Warm 31.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.22 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point

    • 62.83 ˚C est.

  • Synonyms

    • 6-Ethyltetrahydro-2H-pyran-2-one
    • 3301-90-4
    • 6-ethyloxan-2-one
    • delta-heptalactone
    • 2H-Pyran-2-one, 6-ethyltetrahydro-
    • 2H-Pyran-2-one,6-ethyltetrahydro-
    • .delta.-Heptalactone
    • Hepta-1,5-lactone
    • OZ5EZ8P4NT
    • EINECS 221-972-4
    • Heptanoic acid, 5-hydroxy-, .delta.-lactone
    • .DELTA.-HEPTANOLACTONE
    • (+/-)-HEPTAN-5-OLIDE
    • (+/-)-.DELTA.-HEPTALACTONE
    • .DELTA.-HEPTALACTONE, (+/-)-
    • (+/-)-5-HYDROXYHEPTANOIC ACID LACTONE
    • (S)-6-Ethyltetrahydro-2H-pyran-2-one
    • 5-heptanolide
    • 5-Hydroxyheptanoic acid lactone
    • delta-heptanolactone
    • .delta.-Heptanolide
    • UNII-OZ5EZ8P4NT
    • SCHEMBL919276
    • 6-ethyl-tetrahydro-pyran-2-one
    • DTXSID10863148
    • (+/-)-DELTA-HEPTALACTONE
    • DAA30190
    • DELTA-HEPTALACTONE, (+/-)-
    • SB47777
    • Heptanoic acid, 5-hydroxy-, delta-lactone
    • NS00048946
    • G77910
    • Q27285924

  • Applications

    delta-Heptalactone (CAS 3301-90-4) is used as a fragrance ingredient and odorant in perfumery and cosmetics, providing fruity or creamy notes; it may be used as a flavor/aroma component in food flavor formulations where regulations permit; in household products and cleaners it acts as a scented additive; in industrial manufacturing it serves as an intermediate in organic synthesis and as a monomer precursor for specialty polyesters; it may also be evaluated as a building block for fragrance-related compounds in polymer or material applications, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1066.34
    methanol 1616.87
    isopropanol 810.21
    water 3.46
    ethyl acetate 516.71
    n-propanol 741.51
    acetone 1003.48
    n-butanol 607.1
    acetonitrile 1025.21
    DMF 1354.54
    toluene 277.95
    isobutanol 536.88
    1,4-dioxane 1019.83
    methyl acetate 588.33
    THF 1239.1
    2-butanone 693.95
    n-pentanol 452.91
    sec-butanol 585.55
    n-hexane 51.09
    ethylene glycol 284.32
    NMP 1109.76
    cyclohexane 45.34
    DMSO 1742.88
    n-butyl acetate 418.97
    n-octanol 263.95
    chloroform 2116.06
    n-propyl acetate 332.35
    acetic acid 1023.78
    dichloromethane 1932.52
    cyclohexanone 882.5
    propylene glycol 326.0
    isopropyl acetate 334.01
    DMAc 841.7
    2-ethoxyethanol 594.54
    isopentanol 471.38
    n-heptane 26.05
    ethyl formate 427.97
    1,2-dichloroethane 913.46
    n-hexanol 454.29
    2-methoxyethanol 952.99
    isobutyl acetate 231.19
    tetrachloromethane 227.5
    n-pentyl acetate 308.8
    transcutol 1820.71
    n-heptanol 211.46
    ethylbenzene 158.03
    MIBK 327.77
    2-propoxyethanol 720.63
    tert-butanol 745.77
    MTBE 484.88
    2-butoxyethanol 396.05
    propionic acid 766.59
    o-xylene 172.9
    formic acid 388.96
    diethyl ether 445.04
    m-xylene 202.58
    p-xylene 211.35
    chlorobenzene 576.87
    dimethyl carbonate 187.49
    n-octane 17.23
    formamide 431.69
    cyclopentanone 1105.52
    2-pentanone 502.29
    anisole 394.75
    cyclopentyl methyl ether 479.96
    gamma-butyrolactone 1267.42
    1-methoxy-2-propanol 718.05
    pyridine 975.25
    3-pentanone 359.81
    furfural 1104.15
    n-dodecane 20.7
    diethylene glycol 585.65
    diisopropyl ether 132.54
    tert-amyl alcohol 547.12
    acetylacetone 629.34
    n-hexadecane 23.37
    acetophenone 388.5
    methyl propionate 415.42
    isopentyl acetate 371.85
    trichloroethylene 1742.32
    n-nonanol 208.39
    cyclohexanol 422.89
    benzyl alcohol 374.12
    2-ethylhexanol 222.11
    isooctanol 177.86
    dipropyl ether 199.42
    1,2-dichlorobenzene 490.49
    ethyl lactate 201.19
    propylene carbonate 626.67
    n-methylformamide 759.01
    2-pentanol 381.43
    n-pentane 42.62
    1-propoxy-2-propanol 452.0
    1-methoxy-2-propyl acetate 358.91
    2-(2-methoxypropoxy) propanol 410.0
    mesitylene 134.07
    ε-caprolactone 746.76
    p-cymene 106.48
    epichlorohydrin 1233.5
    1,1,1-trichloroethane 788.71
    2-aminoethanol 513.17
    morpholine-4-carbaldehyde 1011.16
    sulfolane 1477.1
    2,2,4-trimethylpentane 32.57
    2-methyltetrahydrofuran 847.81
    n-hexyl acetate 483.3
    isooctane 28.04
    2-(2-butoxyethoxy)ethanol 570.09
    sec-butyl acetate 237.79
    tert-butyl acetate 355.82
    decalin 43.92
    glycerin 439.68
    diglyme 909.63
    acrylic acid 719.96
    isopropyl myristate 161.15
    n-butyric acid 797.95
    acetyl acetate 365.56
    di(2-ethylhexyl) phthalate 186.48
    ethyl propionate 276.51
    nitromethane 1338.62
    1,2-diethoxyethane 461.4
    benzonitrile 655.88
    trioctyl phosphate 127.18
    1-bromopropane 561.49
    gamma-valerolactone 1258.54
    n-decanol 147.85
    triethyl phosphate 128.16
    4-methyl-2-pentanol 207.64
    propionitrile 719.24
    vinylene carbonate 611.36
    1,1,2-trichlorotrifluoroethane 748.49
    DMS 339.4
    cumene 127.49
    2-octanol 165.61
    2-hexanone 392.75
    octyl acetate 219.68
    limonene 143.25
    1,2-dimethoxyethane 811.12
    ethyl orthosilicate 121.28
    tributyl phosphate 163.22
    diacetone alcohol 440.2
    N,N-dimethylaniline 250.38
    acrylonitrile 978.82
    aniline 458.03
    1,3-propanediol 583.83
    bromobenzene 622.81
    dibromomethane 1196.11
    1,1,2,2-tetrachloroethane 1327.37
    2-methyl-cyclohexyl acetate 223.18
    tetrabutyl urea 197.87
    diisobutyl methanol 127.95
    2-phenylethanol 349.0
    styrene 235.88
    dioctyl adipate 242.02
    dimethyl sulfate 354.93
    ethyl butyrate 254.12
    methyl lactate 290.3
    butyl lactate 262.5
    diethyl carbonate 176.5
    propanediol butyl ether 471.68
    triethyl orthoformate 165.95
    p-tert-butyltoluene 102.23
    methyl 4-tert-butylbenzoate 325.6
    morpholine 1120.55
    tert-butylamine 428.88
    n-dodecanol 109.52
    dimethoxymethane 550.34
    ethylene carbonate 459.88
    cyrene 310.17
    2-ethoxyethyl acetate 403.86
    2-ethylhexyl acetate 264.07
    1,2,4-trichlorobenzene 584.49
    4-methylpyridine 941.16
    dibutyl ether 255.46
    2,6-dimethyl-4-heptanol 127.95
    DEF 593.49
    dimethyl isosorbide 547.26
    tetrachloroethylene 773.35
    eugenol 356.03
    triacetin 397.75
    span 80 354.27
    1,4-butanediol 287.93
    1,1-dichloroethane 1053.35
    2-methyl-1-pentanol 371.71
    methyl formate 534.69
    2-methyl-1-butanol 449.95
    n-decane 32.22
    butyronitrile 690.59
    3,7-dimethyl-1-octanol 238.49
    1-chlorooctane 157.27
    1-chlorotetradecane 63.19
    n-nonane 31.15
    undecane 24.97
    tert-butylcyclohexane 48.21
    cyclooctane 17.51
    cyclopentanol 588.46
    tetrahydropyran 763.82
    tert-amyl methyl ether 314.38
    2,5,8-trioxanonane 606.98
    1-hexene 217.69
    2-isopropoxyethanol 408.49
    2,2,2-trifluoroethanol 267.85
    methyl butyrate 409.68

    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