Oxirane, 2-heptadecyl-

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  • Identifiers

    CAS number
    67860-04-2

    Molecular formula
    C19H38O

    SMILES
    CCCCCCCCCCCCCCCCCC1CO1

    Safety labels

  • Odor profile

    Fragrance
    Waxy 74.64%
    Fatty 55.85%
    Oily 40.31%
    Odorless 25.18%
    Meaty 22.38%
    Savory 19.85%
    Fishy 19.8%
    Sweet 17.43%
    Creamy 17.36%
    Burnt 16.8%

     

    Flavor
    Waxy 51.82%
    Alkane 38.79%
    Fatty 29.93%
    Mild 29.51%
    Bland 27.81%
    Slightly waxy 23.56%
    Delicate 21.67%
    Fat 21.49%
    Faint 21.26%
    Incense 20.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    6.2 (neutral)

    Molecular weight
    282.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 151.86 ˚C est.

  • Synonyms

    • 1,2-Epoxynonadecane
    • Oxirane, heptadecyl-
    • Oxirane, 2-heptadecyl-
    • 67860-04-2
    • EINECS 267-438-4
    • DTXSID90886971
    • RefChem:168937
    • DTXCID801026287
    • CEUXMUYHMURJFZ-UHFFFAOYSA-N
    • Heptadecyloxirane
    • 2-Heptadecyloxirane
    • monoepoxynonadecane
    • 2-Heptadecyloxirane #
    • SCHEMBL501328
    • SCHEMBL2127306
    • SCHEMBL9352329
    • NS00054354
    • 67860-04-2

  • Applications

    Oxirane, 2-heptadecyl- (CAS 67860-04-2) is a long-alkyl substituted epoxide that can be used as a reactive monomer or intermediate in the synthesis of specialty polymers and polyols; it may also serve as a crosslinking or reactive diluent component in epoxy resin formulations used in coatings and inks. The compound can act as a building block for alkyl glycidyl ether–type derivatives and related surfactant precursors in industrial manufacturing. It may find applications in adhesive formulations as a reactive epoxy monomer. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.59
    methanol 45.42
    isopropanol 139.68
    water 0.01
    ethyl acetate 826.05
    n-propanol 146.71
    acetone 407.36
    n-butanol 197.75
    acetonitrile 146.69
    DMF 263.38
    toluene 313.11
    isobutanol 154.27
    1,4-dioxane 796.71
    methyl acetate 381.69
    THF 1738.79
    2-butanone 541.13
    n-pentanol 148.81
    sec-butanol 187.23
    n-hexane 178.28
    ethylene glycol 6.14
    NMP 582.92
    cyclohexane 781.86
    DMSO 394.67
    n-butyl acetate 1032.29
    n-octanol 145.04
    chloroform 1945.37
    n-propyl acetate 879.08
    acetic acid 135.53
    dichloromethane 1948.5
    cyclohexanone 1448.99
    propylene glycol 21.04
    isopropyl acetate 827.65
    DMAc 434.43
    2-ethoxyethanol 234.58
    isopentanol 252.2
    n-heptane 319.27
    ethyl formate 231.05
    1,2-dichloroethane 1302.48
    n-hexanol 199.55
    2-methoxyethanol 216.33
    isobutyl acetate 636.9
    tetrachloromethane 505.19
    n-pentyl acetate 790.41
    transcutol 1176.49
    n-heptanol 150.52
    ethylbenzene 248.11
    MIBK 619.66
    2-propoxyethanol 315.97
    tert-butanol 278.48
    MTBE 635.69
    2-butoxyethanol 316.23
    propionic acid 157.38
    o-xylene 271.58
    formic acid 14.51
    diethyl ether 657.1
    m-xylene 241.04
    p-xylene 347.04
    chlorobenzene 546.21
    dimethyl carbonate 116.82
    n-octane 86.47
    formamide 36.19
    cyclopentanone 1252.35
    2-pentanone 686.5
    anisole 455.74
    cyclopentyl methyl ether 1017.0
    gamma-butyrolactone 1037.47
    1-methoxy-2-propanol 281.55
    pyridine 749.87
    3-pentanone 577.52
    furfural 628.05
    n-dodecane 35.08
    diethylene glycol 92.44
    diisopropyl ether 397.51
    tert-amyl alcohol 292.17
    acetylacetone 796.29
    n-hexadecane 44.25
    acetophenone 486.02
    methyl propionate 423.62
    isopentyl acetate 935.77
    trichloroethylene 1894.69
    n-nonanol 158.63
    cyclohexanol 443.78
    benzyl alcohol 197.76
    2-ethylhexanol 283.3
    isooctanol 186.67
    dipropyl ether 1045.58
    1,2-dichlorobenzene 601.23
    ethyl lactate 210.55
    propylene carbonate 652.71
    n-methylformamide 91.23
    2-pentanol 215.81
    n-pentane 137.74
    1-propoxy-2-propanol 450.01
    1-methoxy-2-propyl acetate 798.1
    2-(2-methoxypropoxy) propanol 279.58
    mesitylene 216.2
    ε-caprolactone 1130.46
    p-cymene 282.38
    epichlorohydrin 1365.09
    1,1,1-trichloroethane 1577.0
    2-aminoethanol 27.36
    morpholine-4-carbaldehyde 528.74
    sulfolane 1269.72
    2,2,4-trimethylpentane 89.12
    2-methyltetrahydrofuran 1310.22
    n-hexyl acetate 651.1
    isooctane 72.76
    2-(2-butoxyethoxy)ethanol 374.16
    sec-butyl acetate 775.17
    tert-butyl acetate 970.7
    decalin 195.79
    glycerin 32.32
    diglyme 1055.1
    acrylic acid 88.52
    isopropyl myristate 296.07
    n-butyric acid 436.08
    acetyl acetate 503.18
    di(2-ethylhexyl) phthalate 148.22
    ethyl propionate 788.01
    nitromethane 315.09
    1,2-diethoxyethane 994.19
    benzonitrile 304.68
    trioctyl phosphate 128.96
    1-bromopropane 952.89
    gamma-valerolactone 1261.02
    n-decanol 106.09
    triethyl phosphate 428.46
    4-methyl-2-pentanol 180.28
    propionitrile 214.43
    vinylene carbonate 426.93
    1,1,2-trichlorotrifluoroethane 638.53
    DMS 358.29
    cumene 198.25
    2-octanol 143.58
    2-hexanone 658.7
    octyl acetate 291.4
    limonene 500.91
    1,2-dimethoxyethane 848.49
    ethyl orthosilicate 434.34
    tributyl phosphate 188.68
    diacetone alcohol 522.0
    N,N-dimethylaniline 303.52
    acrylonitrile 169.73
    aniline 237.48
    1,3-propanediol 81.75
    bromobenzene 701.14
    dibromomethane 1352.72
    1,1,2,2-tetrachloroethane 1820.91
    2-methyl-cyclohexyl acetate 678.01
    tetrabutyl urea 253.51
    diisobutyl methanol 279.69
    2-phenylethanol 225.05
    styrene 283.05
    dioctyl adipate 380.4
    dimethyl sulfate 225.65
    ethyl butyrate 1104.24
    methyl lactate 114.24
    butyl lactate 342.31
    diethyl carbonate 595.7
    propanediol butyl ether 173.97
    triethyl orthoformate 825.05
    p-tert-butyltoluene 256.05
    methyl 4-tert-butylbenzoate 429.87
    morpholine 902.03
    tert-butylamine 239.71
    n-dodecanol 80.34
    dimethoxymethane 314.55
    ethylene carbonate 476.89
    cyrene 279.7
    2-ethoxyethyl acetate 746.18
    2-ethylhexyl acetate 826.78
    1,2,4-trichlorobenzene 665.94
    4-methylpyridine 621.75
    dibutyl ether 668.11
    2,6-dimethyl-4-heptanol 279.69
    DEF 703.01
    dimethyl isosorbide 717.75
    tetrachloroethylene 1118.33
    eugenol 266.21
    triacetin 590.46
    span 80 266.76
    1,4-butanediol 32.77
    1,1-dichloroethane 1160.16
    2-methyl-1-pentanol 195.65
    methyl formate 78.34
    2-methyl-1-butanol 212.38
    n-decane 84.29
    butyronitrile 332.58
    3,7-dimethyl-1-octanol 222.66
    1-chlorooctane 282.83
    1-chlorotetradecane 94.99
    n-nonane 89.53
    undecane 50.3
    tert-butylcyclohexane 143.1
    cyclooctane 218.93
    cyclopentanol 361.32
    tetrahydropyran 1417.37
    tert-amyl methyl ether 533.97
    2,5,8-trioxanonane 554.42
    1-hexene 325.08
    2-isopropoxyethanol 266.55
    2,2,2-trifluoroethanol 66.27
    methyl butyrate 955.76

    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