2-Oxiranepentanol, gamma,3,3-trimethyl-

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  • Identifiers

    CAS number
    1564-98-3

    Molecular formula
    C10H20O2

    SMILES
    CC(CCC1C(O1)(C)C)CCO

    Safety labels

  • Odor profile

    Fragrance
    Floral 75.71%
    Woody 51.32%
    Green 50.92%
    Sweet 45.47%
    Lily 43.76%
    Fresh 41.33%
    Muguet 39.78%
    Rose 37.27%
    Citrus 30.8%
    Mint 30.74%

     

    Flavor
    Green 66.3%
    Floral 53.21%
    Herbal 38.6%
    Tropical 37.42%
    Earthy 36.57%
    Mild 31.83%
    Oily 29.94%
    Minty 29.56%
    Fruity 29.07%
    Waxy 28.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.2 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    234°C

    Flash point

    • 98.43 ˚C est.

  • Synonyms

    • Citronellol epoxide
    • 1564-98-3
    • 5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol
    • 3,7-Dimethyl-6,7-epoxyoctan-1-ol
    • NSC 140635
    • Oxiranepentanol, gamma,3,3-trimethyl-
    • 1-Octanol, 6,7-epoxy-3,7-dimethyl-
    • 2-Oxiranepentanol, gamma,3,3-trimethyl-
    • Oxiranepentanol, .gamma.,3,3-trimethyl-
    • AI3-36744
    • 2-Oxiranepentanol, .gamma.,3,3-trimethyl-
    • DTXSID00883693
    • RefChem:477610
    • DTXCID701023197
    • 5-(3,3-Dimethyloxiranyl)-3-methyl-1-pentanol
    • 3,7-Dimethyl-6,7-epoxy-1-octanol
    • 3,7-epoxyoctan-1-ol
    • Citronellol epoxide (R or S)
    • SCHEMBL7977453
    • Oxiranepentanol,3,3-trimethyl-
    • 1-Octanol,7-epoxy-3,7-dimethyl-
    • NSC140635
    • 2-Oxiranepentanol, g,3,3-trimethyl-
    • NSC-140635
    • DS-013534
    • 5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-pentanol #
    • 1564-98-3

  • Applications

    For 2-Oxiranepentanol, gamma,3,3-trimethyl- (CAS 1564-98-3), the compound is used primarily as an epoxy-functional intermediate and reactive monomer in polymer chemistry, enabling its incorporation into epoxy resin formulations as a crosslinking component; it also serves as a reactive diluent to reduce viscosity in coatings and adhesives; as a building block for specialty polymers and high-performance materials derived from epoxide chemistry; and as a precursor for electronic/industrial coatings and encapsulants in electronics, as well as for UV-curable systems in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2288.88
    methanol 2189.01
    isopropanol 1736.65
    water 3.95
    ethyl acetate 447.6
    n-propanol 1354.18
    acetone 519.27
    n-butanol 1162.68
    acetonitrile 508.51
    DMF 321.99
    toluene 147.95
    isobutanol 825.92
    1,4-dioxane 1301.98
    methyl acetate 383.08
    THF 1320.76
    2-butanone 378.75
    n-pentanol 678.44
    sec-butanol 893.25
    n-hexane 72.37
    ethylene glycol 449.06
    NMP 180.37
    cyclohexane 130.72
    DMSO 422.28
    n-butyl acetate 335.74
    n-octanol 259.21
    chloroform 986.37
    n-propyl acetate 258.43
    acetic acid 780.38
    dichloromethane 625.1
    cyclohexanone 388.14
    propylene glycol 841.71
    isopropyl acetate 287.31
    DMAc 262.05
    2-ethoxyethanol 887.87
    isopentanol 764.59
    n-heptane 62.96
    ethyl formate 289.97
    1,2-dichloroethane 335.24
    n-hexanol 796.9
    2-methoxyethanol 1400.59
    isobutyl acetate 204.92
    tetrachloromethane 164.77
    n-pentyl acetate 161.73
    transcutol 1537.78
    n-heptanol 270.3
    ethylbenzene 85.36
    MIBK 241.65
    2-propoxyethanol 1038.74
    tert-butanol 1449.74
    MTBE 685.79
    2-butoxyethanol 450.29
    propionic acid 498.96
    o-xylene 96.22
    formic acid 354.99
    diethyl ether 670.68
    m-xylene 111.78
    p-xylene 113.16
    chlorobenzene 171.94
    dimethyl carbonate 79.07
    n-octane 22.63
    formamide 321.49
    cyclopentanone 334.33
    2-pentanone 328.72
    anisole 205.81
    cyclopentyl methyl ether 363.36
    gamma-butyrolactone 345.92
    1-methoxy-2-propanol 1022.43
    pyridine 436.76
    3-pentanone 183.12
    furfural 348.1
    n-dodecane 20.08
    diethylene glycol 800.21
    diisopropyl ether 173.93
    tert-amyl alcohol 744.95
    acetylacetone 269.47
    n-hexadecane 22.07
    acetophenone 149.11
    methyl propionate 236.93
    isopentyl acetate 315.55
    trichloroethylene 496.67
    n-nonanol 217.54
    cyclohexanol 581.72
    benzyl alcohol 224.69
    2-ethylhexanol 288.62
    isooctanol 189.53
    dipropyl ether 286.22
    1,2-dichlorobenzene 139.63
    ethyl lactate 162.18
    propylene carbonate 248.23
    n-methylformamide 304.65
    2-pentanol 653.28
    n-pentane 95.6
    1-propoxy-2-propanol 644.18
    1-methoxy-2-propyl acetate 354.73
    2-(2-methoxypropoxy) propanol 310.95
    mesitylene 78.87
    ε-caprolactone 358.46
    p-cymene 75.37
    epichlorohydrin 525.95
    1,1,1-trichloroethane 341.15
    2-aminoethanol 929.46
    morpholine-4-carbaldehyde 439.7
    sulfolane 266.64
    2,2,4-trimethylpentane 41.74
    2-methyltetrahydrofuran 714.58
    n-hexyl acetate 252.56
    isooctane 43.98
    2-(2-butoxyethoxy)ethanol 508.59
    sec-butyl acetate 189.67
    tert-butyl acetate 297.07
    decalin 42.79
    glycerin 708.41
    diglyme 728.51
    acrylic acid 333.97
    isopropyl myristate 106.27
    n-butyric acid 704.64
    acetyl acetate 207.97
    di(2-ethylhexyl) phthalate 108.01
    ethyl propionate 183.92
    nitromethane 486.31
    1,2-diethoxyethane 454.71
    benzonitrile 224.83
    trioctyl phosphate 81.97
    1-bromopropane 313.56
    gamma-valerolactone 558.63
    n-decanol 152.3
    triethyl phosphate 96.78
    4-methyl-2-pentanol 339.06
    propionitrile 459.4
    vinylene carbonate 235.65
    1,1,2-trichlorotrifluoroethane 455.73
    DMS 149.27
    cumene 69.47
    2-octanol 163.46
    2-hexanone 254.99
    octyl acetate 127.26
    limonene 112.19
    1,2-dimethoxyethane 865.89
    ethyl orthosilicate 107.58
    tributyl phosphate 97.18
    diacetone alcohol 375.0
    N,N-dimethylaniline 124.08
    acrylonitrile 354.36
    aniline 274.8
    1,3-propanediol 1142.7
    bromobenzene 153.53
    dibromomethane 468.34
    1,1,2,2-tetrachloroethane 484.17
    2-methyl-cyclohexyl acetate 173.86
    tetrabutyl urea 102.98
    diisobutyl methanol 170.07
    2-phenylethanol 260.74
    styrene 102.46
    dioctyl adipate 134.57
    dimethyl sulfate 85.15
    ethyl butyrate 210.99
    methyl lactate 207.36
    butyl lactate 172.49
    diethyl carbonate 142.54
    propanediol butyl ether 481.72
    triethyl orthoformate 183.16
    p-tert-butyltoluene 78.6
    methyl 4-tert-butylbenzoate 150.53
    morpholine 1492.62
    tert-butylamine 939.75
    n-dodecanol 115.23
    dimethoxymethane 384.55
    ethylene carbonate 234.48
    cyrene 198.67
    2-ethoxyethyl acetate 243.79
    2-ethylhexyl acetate 223.72
    1,2,4-trichlorobenzene 169.25
    4-methylpyridine 324.79
    dibutyl ether 204.57
    2,6-dimethyl-4-heptanol 170.07
    DEF 236.94
    dimethyl isosorbide 343.67
    tetrachloroethylene 336.06
    eugenol 165.57
    triacetin 211.62
    span 80 306.14
    1,4-butanediol 465.23
    1,1-dichloroethane 467.98
    2-methyl-1-pentanol 411.76
    methyl formate 185.15
    2-methyl-1-butanol 573.92
    n-decane 35.24
    butyronitrile 574.06
    3,7-dimethyl-1-octanol 231.89
    1-chlorooctane 108.32
    1-chlorotetradecane 44.18
    n-nonane 33.18
    undecane 25.54
    tert-butylcyclohexane 45.89
    cyclooctane 38.33
    cyclopentanol 533.87
    tetrahydropyran 1120.1
    tert-amyl methyl ether 335.66
    2,5,8-trioxanonane 442.56
    1-hexene 220.48
    2-isopropoxyethanol 557.33
    2,2,2-trifluoroethanol 187.0
    methyl butyrate 234.39

    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