2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate

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  • Identifiers

    CAS number
    41610-76-8

    Molecular formula
    C12H20O3

    SMILES
    CC(=O)OC(C)(CCC1C(O1)(C)C)C=C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Floral 78.57%
    Woody 74.38%
    Fresh 55.6%
    Sweet 46.41%
    Fruity 40.3%
    Bergamot 40.22%
    Herbal 38.45%
    Citrus 36.29%
    Lavender 31.93%
    Rose 29.26%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    212.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point est.
    96.14 ˚C

  • Synonyms

    • 41610-76-8
    • 1-(3,4-Epoxy-4-methylpentyl)-1-methylallyl acetate
    • [5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-yl] acetate
    • 6,7-Dihydro-6,7-epoxylinalyl acetate
    • EINECS 255-459-1
    • DTXSID70866054
    • d-Ethenyl-alpha,3,3-trimethyloxinane propanal acetate
    • Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, acetate
    • 2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate
    • Oxiranepropanol, .alpha.-ethenyl-.alpha.,3,3-trimethyl-, acetate
    • 2-Oxiranepropanol, .alpha.-ethenyl-.alpha.,3,3-trimethyl-, 2-acetate
    • SCHEMBL10868259
    • DTXCID70814393
    • SVXOLLYBCSDBKK-UHFFFAOYSA-N
    • AKOS015906106
    • NS00057825
    • Z1509525354
    • 255-459-1

  • Applications

    2-Oxiranepropanol, alpha-ethenyl-alpha,3,3-trimethyl-, 2-acetate (CAS 41610-76-8) is a multifunctional monomer bearing both epoxy (oxirane) and vinyl/acetate groups, widely used as a reactive diluent and crosslinking monomer in UV/EB-curable coatings, inks, and varnishes to improve hardness, chemical/solvent resistance, and adhesion to metals, glass, and plastics; in adhesives and sealants it enables dual-cure pathways (free-radical via the vinyl and cationic/amine via the epoxy) for fast set, enhanced structural strength, and low shrinkage; in epoxy resins and acrylic/vinyl copolymers it reduces viscosity as a reactive diluent while reinforcing the network to boost thermal resistance and dimensional stability, supporting 3D printing, composites, and electronics coatings (encapsulants, solder masks, protective and photoimageable resins); additionally, the epoxy can undergo ring-opening and the acetate can participate in transesterification, making it a useful intermediate for synthesizing functional oligomers/resins, adhesion promoters, and surface modifiers in low-VOC wood, packaging, and anti-corrosion coatings.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 490.65
    methanol 575.74
    isopropanol 411.87
    water 2.39
    ethyl acetate 304.84
    n-propanol 311.25
    acetone 346.87
    n-butanol 284.23
    acetonitrile 276.07
    DMF 572.53
    toluene 158.9
    isobutanol 242.9
    1,4-dioxane 590.31
    methyl acetate 326.06
    THF 692.28
    2-butanone 299.73
    n-pentanol 227.65
    sec-butanol 316.46
    n-hexane 32.3
    ethylene glycol 124.46
    NMP 485.13
    cyclohexane 40.24
    DMSO 386.15
    n-butyl acetate 192.75
    n-octanol 119.29
    chloroform 869.53
    n-propyl acetate 178.2
    acetic acid 404.27
    dichloromethane 635.71
    cyclohexanone 361.37
    propylene glycol 224.41
    isopropyl acetate 222.55
    DMAc 724.32
    2-ethoxyethanol 375.47
    isopentanol 273.03
    n-heptane 14.82
    ethyl formate 205.39
    1,2-dichloroethane 302.73
    n-hexanol 239.1
    2-methoxyethanol 590.74
    isobutyl acetate 151.4
    tetrachloromethane 95.95
    n-pentyl acetate 125.31
    transcutol 893.71
    n-heptanol 90.16
    ethylbenzene 112.32
    MIBK 196.52
    2-propoxyethanol 432.59
    tert-butanol 478.15
    MTBE 384.34
    2-butoxyethanol 200.99
    propionic acid 261.28
    o-xylene 110.23
    formic acid 214.7
    diethyl ether 281.29
    m-xylene 122.11
    p-xylene 150.99
    chlorobenzene 182.04
    dimethyl carbonate 145.38
    n-octane 7.59
    formamide 240.72
    cyclopentanone 358.14
    2-pentanone 238.71
    anisole 239.24
    cyclopentyl methyl ether 270.25
    gamma-butyrolactone 418.24
    1-methoxy-2-propanol 466.81
    pyridine 312.29
    3-pentanone 184.66
    furfural 391.36
    n-dodecane 9.14
    diethylene glycol 382.64
    diisopropyl ether 95.83
    tert-amyl alcohol 372.24
    acetylacetone 290.19
    n-hexadecane 10.32
    acetophenone 208.37
    methyl propionate 244.48
    isopentyl acetate 201.31
    trichloroethylene 600.22
    n-nonanol 109.88
    cyclohexanol 244.58
    benzyl alcohol 188.7
    2-ethylhexanol 129.45
    isooctanol 77.76
    dipropyl ether 112.88
    1,2-dichlorobenzene 171.72
    ethyl lactate 124.33
    propylene carbonate 283.83
    n-methylformamide 276.27
    2-pentanol 211.62
    n-pentane 27.76
    1-propoxy-2-propanol 262.52
    1-methoxy-2-propyl acetate 260.85
    2-(2-methoxypropoxy) propanol 263.96
    mesitylene 73.69
    ε-caprolactone 361.01
    p-cymene 59.13
    epichlorohydrin 504.88
    1,1,1-trichloroethane 323.93
    2-aminoethanol 234.01
    morpholine-4-carbaldehyde 594.25
    sulfolane 381.74
    2,2,4-trimethylpentane 22.76
    2-methyltetrahydrofuran 477.44
    n-hexyl acetate 217.69
    isooctane 16.41
    2-(2-butoxyethoxy)ethanol 323.64
    sec-butyl acetate 164.38
    tert-butyl acetate 228.82
    decalin 33.07
    glycerin 264.62
    diglyme 491.03
    acrylic acid 202.75
    isopropyl myristate 85.57
    n-butyric acid 293.87
    acetyl acetate 234.82
    di(2-ethylhexyl) phthalate 97.69
    ethyl propionate 176.7
    nitromethane 500.24
    1,2-diethoxyethane 257.62
    benzonitrile 198.46
    trioctyl phosphate 65.32
    1-bromopropane 209.08
    gamma-valerolactone 558.27
    n-decanol 79.78
    triethyl phosphate 92.23
    4-methyl-2-pentanol 144.3
    propionitrile 212.96
    vinylene carbonate 264.88
    1,1,2-trichlorotrifluoroethane 413.26
    DMS 210.57
    cumene 85.1
    2-octanol 69.99
    2-hexanone 197.66
    octyl acetate 108.29
    limonene 81.84
    1,2-dimethoxyethane 545.72
    ethyl orthosilicate 89.38
    tributyl phosphate 89.64
    diacetone alcohol 267.89
    N,N-dimethylaniline 177.07
    acrylonitrile 224.06
    aniline 196.63
    1,3-propanediol 312.8
    bromobenzene 183.79
    dibromomethane 400.49
    1,1,2,2-tetrachloroethane 510.67
    2-methyl-cyclohexyl acetate 155.3
    tetrabutyl urea 111.26
    diisobutyl methanol 70.84
    2-phenylethanol 192.69
    styrene 123.51
    dioctyl adipate 124.16
    dimethyl sulfate 202.86
    ethyl butyrate 147.09
    methyl lactate 168.28
    butyl lactate 123.2
    diethyl carbonate 117.73
    propanediol butyl ether 241.31
    triethyl orthoformate 118.5
    p-tert-butyltoluene 57.33
    methyl 4-tert-butylbenzoate 166.98
    morpholine 688.73
    tert-butylamine 290.66
    n-dodecanol 59.6
    dimethoxymethane 382.78
    ethylene carbonate 234.8
    cyrene 236.3
    2-ethoxyethyl acetate 205.1
    2-ethylhexyl acetate 163.33
    1,2,4-trichlorobenzene 218.63
    4-methylpyridine 362.89
    dibutyl ether 119.04
    2,6-dimethyl-4-heptanol 70.84
    DEF 280.75
    dimethyl isosorbide 365.58
    tetrachloroethylene 290.09
    eugenol 173.67
    triacetin 222.65
    span 80 192.0
    1,4-butanediol 152.93
    1,1-dichloroethane 360.6
    2-methyl-1-pentanol 221.38
    methyl formate 215.41
    2-methyl-1-butanol 240.92
    n-decane 14.8
    butyronitrile 227.04
    3,7-dimethyl-1-octanol 131.9
    1-chlorooctane 67.27
    1-chlorotetradecane 29.25
    n-nonane 13.1
    undecane 11.28
    tert-butylcyclohexane 31.28
    cyclooctane 13.95
    cyclopentanol 234.48
    tetrahydropyran 436.88
    tert-amyl methyl ether 266.88
    2,5,8-trioxanonane 360.12
    1-hexene 107.17
    2-isopropoxyethanol 268.18
    2,2,2-trifluoroethanol 150.68
    methyl butyrate 216.23

    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

Botanical

Name CAS Botanical Proportion
Bergamot (Italy) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Clary sage flower 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.02%
Lavandin (France) (Grosso) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiesleur), Lamiaceae 0.01%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.05%