Caprolactone

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  • Identifiers

    CAS number
    502-44-3

    Molecular formula
    C6H10O2

    SMILES
    C1CCC(=O)OCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 66.1%
    Sweet 63.79%
    Coconut 59.58%
    Oily 57.82%
    Fatty 56.92%
    Coumarinic 56.13%
    Creamy 48.18%
    Buttery 42.12%
    Woody 41.56%
    Musk 40.92%

     

    Flavor
    Sweet 66.83%
    Coconut 51.75%
    Fatty 45.9%
    Creamy 43.39%
    Tonka 42.27%
    Caramel 41.74%
    Oily 41.09%
    Coumarin 40.84%
    Herbal 38.55%
    Buttery 38.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.0

    pKa est.
    8.01 (weak base)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -1.5 °C

    Boiling point

    • 237 °C

    Flash point

    • 84.83 ˚C est.
    • 127 °C o.c.

    Solubility expt.

    • Solubility in water: miscible

  • Synonyms

    • oxepan-2-one
    • Epsilon-caprolactone
    • CAPROLACTONE
    • 502-44-3
    • 6-Hexanolactone
    • 2-Oxepanone
    • Hexan-6-olide
    • hexano-6-lactone
    • 6-Hexanolide
    • 1-Oxa-2-oxocycloheptane
    • 1,6-Hexanolide
    • E-Caprolactone
    • Placcel M
    • epsilon-Caprolactone monomer
    • 2-Oxacycloheptanone
    • 6-Hydroxyhexanoic acid lactone
    • Hexanoic acid, epsilon-lactone
    • .epsilon.-Caprolactone
    • Hexamethylene oxide, 2-oxo-
    • 2-oxohexamethylene oxide
    • epsilon-Kaprolakton
    • 6-Caprolactone monomer
    • HSDB 5670
    • EINECS 207-938-1
    • epsilon caprolactone
    • epsilon-Hexanolactone
    • UNII-56RE988L1R
    • 6-hydroxyhexanoic acid, epsilon-lactone
    • BRN 0106919
    • DTXSID4027159
    • CHEBI:17915
    • TONE ECEQ
    • e-Caprolactone--d6
    • Hexanoic acid, 6-hydroxy-, epsilon-lactone
    • 56RE988L1R
    • CAPROLACTONE, EPSILON-
    • CHEMBL373123
    • DTXCID007159
    • EC 207-938-1
    • 5-17-09-00034 (Beilstein Handbook Reference)
    • Hexanoic acid, 6-hydroxy-, lactone
    • Epsilon-?Caprolactone
    • Hexanoic acid, 6-hydroxy-, .epsilon.-lactone
    • 1219802-08-0
    • epsilon-Kaprolakton [Czech]
    • 25248-42-4
    • 6-Hexanalactone
    • epsilon-Hexalactone
    • ECE
    • MFCD00003267
    • epsilon -caprolactone
    • .epsilon.-Kaprolakton
    • bmse000493
    • CAPROLACTONE [HSDB]
    • epsilon-Caprolactone, 97%
    • SCHEMBL10850
    • 6-Hydroxycaproic acid lactone
    • .epsilon.-Caprolactone monomer
    • .EPSILON.-HEXANOLACTONE
    • Hexanoic acid, .epsilon.-lactone
    • Oxepan-2-one; Epsilon-Caprolactone
    • Tox21_200445
    • BBL011394
    • BDBM50167993
    • c0059
    • MFCD00084404
    • STL146497
    • Polycaprolactone Mn=60000~65000
    • AKOS005721108
    • CS-W016607
    • FC05808
    • HY-W015891
    • NCGC00248619-01
    • NCGC00257999-01
    • AS-14738
    • CAS-502-44-3
    • FP175786
    • 6-Hexanolactone; 2-Oxepanone;Caprolactone
    • DB-051739
    • NS00008481
    • C01880
    • D70255
    • EN300-103355
    • Q288104
    • SR-01000944724
    • 6-Hexanolactone;2-Oxepanone;6-Caprolactone monomer
    • SR-01000944724-1
    • F0001-1311
    • InChI=1/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H
    • 207-938-1

  • Applications

    Caprolactone (CAS 502-44-3) is primarily used as the monomer for polycaprolactone (PCL), a biodegradable polyester polymer employed in packaging and disposable items, as well as in 3D printing filaments and molded components. It is also a key precursor for polyurethane soft segments, enabling flexible coatings, elastomeric adhesives, and sealants with improved degradability. In the medical and pharmaceutical sectors, caprolactone-derived polymers support drug delivery systems, tissue engineering scaffolds, and sutures. Additionally, caprolactone serves as a building block for specialty resins and film-forming coatings and inks where biodegradability or biocompatibility is advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1217.53
    methanol 1774.23
    isopropanol 733.19
    water 12.23
    ethyl acetate 691.93
    n-propanol 773.37
    acetone 1455.97
    n-butanol 543.42
    acetonitrile 1983.61
    DMF 1891.67
    toluene 225.85
    isobutanol 477.33
    1,4-dioxane 1250.79
    methyl acetate 791.79
    THF 1086.27
    2-butanone 826.37
    n-pentanol 388.37
    sec-butanol 534.28
    n-hexane 26.83
    ethylene glycol 327.22
    NMP 1395.22
    cyclohexane 41.07
    DMSO 2283.15
    n-butyl acetate 236.59
    n-octanol 133.94
    chloroform 2715.79
    n-propyl acetate 329.21
    acetic acid 2744.77
    dichloromethane 2378.14
    cyclohexanone 945.55
    propylene glycol 361.13
    isopropyl acetate 272.14
    DMAc 979.6
    2-ethoxyethanol 560.21
    isopentanol 371.3
    n-heptane 14.21
    ethyl formate 545.71
    1,2-dichloroethane 1049.1
    n-hexanol 221.23
    2-methoxyethanol 1041.08
    isobutyl acetate 156.78
    tetrachloromethane 202.33
    n-pentyl acetate 223.32
    transcutol 1840.07
    n-heptanol 116.75
    ethylbenzene 105.56
    MIBK 206.72
    2-propoxyethanol 393.73
    tert-butanol 603.55
    MTBE 299.17
    2-butoxyethanol 275.78
    propionic acid 1295.88
    o-xylene 135.14
    formic acid 1161.06
    diethyl ether 389.0
    m-xylene 118.11
    p-xylene 178.93
    chlorobenzene 631.63
    dimethyl carbonate 204.87
    n-octane 8.19
    formamide 1651.71
    cyclopentanone 1251.33
    2-pentanone 485.23
    anisole 331.09
    cyclopentyl methyl ether 337.98
    gamma-butyrolactone 1701.72
    1-methoxy-2-propanol 592.96
    pyridine 1943.52
    3-pentanone 329.66
    furfural 1539.33
    n-dodecane 8.76
    diethylene glycol 424.18
    diisopropyl ether 64.3
    tert-amyl alcohol 431.34
    acetylacetone 611.67
    n-hexadecane 9.68
    acetophenone 330.0
    methyl propionate 488.84
    isopentyl acetate 183.01
    trichloroethylene 2279.43
    n-nonanol 109.47
    cyclohexanol 372.04
    benzyl alcohol 384.24
    2-ethylhexanol 105.97
    isooctanol 93.96
    dipropyl ether 98.84
    1,2-dichlorobenzene 464.96
    ethyl lactate 149.49
    propylene carbonate 645.86
    n-methylformamide 1488.6
    2-pentanol 277.06
    n-pentane 23.67
    1-propoxy-2-propanol 230.85
    1-methoxy-2-propyl acetate 215.88
    2-(2-methoxypropoxy) propanol 272.79
    mesitylene 67.78
    ε-caprolactone 827.2
    p-cymene 52.96
    epichlorohydrin 1260.73
    1,1,1-trichloroethane 794.28
    2-aminoethanol 651.34
    morpholine-4-carbaldehyde 1135.95
    sulfolane 1419.89
    2,2,4-trimethylpentane 15.51
    2-methyltetrahydrofuran 786.24
    n-hexyl acetate 314.18
    isooctane 10.57
    2-(2-butoxyethoxy)ethanol 438.34
    sec-butyl acetate 170.0
    tert-butyl acetate 229.64
    decalin 20.93
    glycerin 487.19
    diglyme 762.74
    acrylic acid 1338.83
    isopropyl myristate 87.88
    n-butyric acid 1084.09
    acetyl acetate 453.31
    di(2-ethylhexyl) phthalate 113.89
    ethyl propionate 245.12
    nitromethane 3428.17
    1,2-diethoxyethane 351.63
    benzonitrile 718.79
    trioctyl phosphate 73.15
    1-bromopropane 432.28
    gamma-valerolactone 1395.82
    n-decanol 76.78
    triethyl phosphate 86.13
    4-methyl-2-pentanol 124.35
    propionitrile 919.72
    vinylene carbonate 713.81
    1,1,2-trichlorotrifluoroethane 1018.2
    DMS 270.53
    cumene 67.87
    2-octanol 87.88
    2-hexanone 313.55
    octyl acetate 128.2
    limonene 71.66
    1,2-dimethoxyethane 723.02
    ethyl orthosilicate 78.88
    tributyl phosphate 98.93
    diacetone alcohol 312.74
    N,N-dimethylaniline 178.44
    acrylonitrile 1515.9
    aniline 547.28
    1,3-propanediol 668.28
    bromobenzene 593.77
    dibromomethane 1286.5
    1,1,2,2-tetrachloroethane 1541.17
    2-methyl-cyclohexyl acetate 126.8
    tetrabutyl urea 121.33
    diisobutyl methanol 61.22
    2-phenylethanol 241.5
    styrene 198.57
    dioctyl adipate 160.21
    dimethyl sulfate 371.84
    ethyl butyrate 170.68
    methyl lactate 266.86
    butyl lactate 190.49
    diethyl carbonate 128.61
    propanediol butyl ether 336.97
    triethyl orthoformate 112.89
    p-tert-butyltoluene 47.24
    methyl 4-tert-butylbenzoate 216.94
    morpholine 1452.0
    tert-butylamine 293.94
    n-dodecanol 56.9
    dimethoxymethane 473.31
    ethylene carbonate 513.87
    cyrene 258.97
    2-ethoxyethyl acetate 352.84
    2-ethylhexyl acetate 136.15
    1,2,4-trichlorobenzene 547.35
    4-methylpyridine 1215.58
    dibutyl ether 132.27
    2,6-dimethyl-4-heptanol 61.22
    DEF 621.21
    dimethyl isosorbide 363.78
    tetrachloroethylene 1030.59
    eugenol 251.69
    triacetin 333.64
    span 80 266.17
    1,4-butanediol 273.7
    1,1-dichloroethane 1124.25
    2-methyl-1-pentanol 264.42
    methyl formate 819.87
    2-methyl-1-butanol 358.35
    n-decane 13.69
    butyronitrile 711.91
    3,7-dimethyl-1-octanol 117.41
    1-chlorooctane 70.76
    1-chlorotetradecane 26.75
    n-nonane 12.7
    undecane 10.45
    tert-butylcyclohexane 18.94
    cyclooctane 9.8
    cyclopentanol 572.72
    tetrahydropyran 851.44
    tert-amyl methyl ether 185.21
    2,5,8-trioxanonane 512.17
    1-hexene 134.7
    2-isopropoxyethanol 315.27
    2,2,2-trifluoroethanol 632.46
    methyl butyrate 381.88

    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