METHYL beta-PHENYLGLYCIDATE

Overview IFRA Request a quote

  • Identifiers

    CAS number
    37161-74-3

    Molecular formula
    C10H10O3

    SMILES
    COC(=O)C1C(O1)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 96.63%
    Sweet 84.89%
    Berry 58.57%
    Floral 45.71%
    Honey 44.91%
    Strawberry 44.77%
    Caramellic 43.0%
    Cherry 39.96%
    Tropical 38.12%
    Almond 33.55%

     

    Flavor
    Bitter 62.21%
    Fruity 42.12%
    Floral 36.72%
    Sweet 36.18%
    Balsam 28.11%
    Oily 23.73%
    Herbal 23.4%
    Strawberry 22.75%
    Pastry 21.04%
    Styrax 20.66%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.21 (weak acid)

    Molecular weight
    178.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    266°C

    Flash point

    • 122.99 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Methyl 3-phenyloxirane-2-carboxylate
    • 37161-74-3
    • Methyl beta-phenylglycidate
    • 1-Phenyl-2-methoxycarbonyloxirane
    • Methyl .beta.-phenylglycidate
    • EINECS 253-370-2
    • MFCD00022332
    • Oxiranecarboxylic acid, 3-phenyl-, methyl ester
    • J37ORW9V6E
    • AI3-07348
    • DTXSID80865851
    • 3-Phenyl glycidic acid methyl ester
    • Methyl 3-phenyl-2-oxiranecarboxylate
    • NSC 53768
    • NSC-53768
    • cis-(2S,3S)Methylepoxycinnamate
    • 115794-68-8
    • UNII-J37ORW9V6E
    • METHYLPHENYL GLYCIDATE
    • methyl 3-phenylglycidate
    • SCHEMBL487563
    • FEMA NO. 4654
    • DTXCID30814213
    • (A+-)-methyl 2,3-epoxycinnamate
    • Methyl3-phenyloxirane-2-carboxylate
    • NSC53768
    • AC6025
    • AKOS016010708
    • methyl 3-phenyl oxirane-2-carboxylate
    • (.+/-.)- methyl 2,3-epoxycinnamate
    • Methyl 3-phenyl-2-oxiranecarboxylate #
    • AS-82799
    • SY037171
    • (+/-)-METHYL 2,3-EPOXYCINNAMATE
    • DB-265434
    • METHYL 2-PHENYLOXIRANE-1-CARBOXYLAT
    • CS-0332541
    • NS00056843
    • GLYCIDIC ACID, 3-PHENYL-, METHYL ESTER
    • 2-Oxiranecarboxylicacid, 3-phenyl-, methyl ester
    • A1-21328
    • 2-OXIRANECARBOXYLIC ACID, 3-PHENYL-, METHYL ESTER
    • 253-370-2

  • Applications

    METHYL beta-PHENYLGLYCIDATE (CAS 37161-74-3) is used primarily as a fragrance ingredient and fragrance intermediate in perfumery and cosmetics, contributing to distinctive aroma profiles. It is commonly employed as a building block in the synthesis of more complex aroma compounds, utilizing its glycidyl functionality for selective transformations. In polymer-related industries, the compound serves as an epoxy-ester intermediate, enabling incorporation into epoxy resin systems and acting as a reactive component in coatings, inks, and adhesives formulations. It may be used as a synthetic building block in organic synthesis for pharmaceutical and agrochemical intermediates. It can also function as a fragrance additive in household products such as cleaners and detergents, within formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.83
    methanol 86.88
    isopropanol 23.78
    water 0.28
    ethyl acetate 115.44
    n-propanol 30.15
    acetone 86.74
    n-butanol 25.72
    acetonitrile 93.89
    DMF 96.6
    toluene 44.7
    isobutanol 18.4
    1,4-dioxane 149.72
    methyl acetate 113.73
    THF 135.49
    2-butanone 74.87
    n-pentanol 23.35
    sec-butanol 20.33
    n-hexane 0.63
    ethylene glycol 41.16
    NMP 61.33
    cyclohexane 3.32
    DMSO 129.16
    n-butyl acetate 41.56
    n-octanol 8.83
    chloroform 204.09
    n-propyl acetate 55.45
    acetic acid 122.87
    dichloromethane 269.3
    cyclohexanone 81.41
    propylene glycol 21.58
    isopropyl acetate 58.69
    DMAc 113.07
    2-ethoxyethanol 106.13
    isopentanol 29.51
    n-heptane 1.26
    ethyl formate 57.86
    1,2-dichloroethane 177.77
    n-hexanol 22.82
    2-methoxyethanol 160.99
    isobutyl acetate 33.35
    tetrachloromethane 12.74
    n-pentyl acetate 19.58
    transcutol 351.1
    n-heptanol 11.68
    ethylbenzene 21.96
    MIBK 46.56
    2-propoxyethanol 67.27
    tert-butanol 43.26
    MTBE 38.03
    2-butoxyethanol 41.32
    propionic acid 52.22
    o-xylene 27.4
    formic acid 107.01
    diethyl ether 53.73
    m-xylene 24.29
    p-xylene 25.66
    chlorobenzene 58.77
    dimethyl carbonate 55.82
    n-octane 0.62
    formamide 227.8
    cyclopentanone 95.87
    2-pentanone 59.13
    anisole 68.51
    cyclopentyl methyl ether 45.68
    gamma-butyrolactone 123.25
    1-methoxy-2-propanol 78.29
    pyridine 163.5
    3-pentanone 48.4
    furfural 160.98
    n-dodecane 0.79
    diethylene glycol 97.78
    diisopropyl ether 13.71
    tert-amyl alcohol 33.89
    acetylacetone 112.78
    n-hexadecane 0.91
    acetophenone 66.81
    methyl propionate 79.65
    isopentyl acetate 42.77
    trichloroethylene 335.98
    n-nonanol 9.71
    cyclohexanol 24.32
    benzyl alcohol 56.82
    2-ethylhexanol 16.1
    isooctanol 11.8
    dipropyl ether 17.64
    1,2-dichlorobenzene 55.24
    ethyl lactate 31.33
    propylene carbonate 67.56
    n-methylformamide 78.72
    2-pentanol 16.91
    n-pentane 0.88
    1-propoxy-2-propanol 37.56
    1-methoxy-2-propyl acetate 60.62
    2-(2-methoxypropoxy) propanol 55.22
    mesitylene 15.02
    ε-caprolactone 76.34
    p-cymene 13.13
    epichlorohydrin 230.85
    1,1,1-trichloroethane 77.07
    2-aminoethanol 47.67
    morpholine-4-carbaldehyde 118.23
    sulfolane 108.03
    2,2,4-trimethylpentane 1.51
    2-methyltetrahydrofuran 68.27
    n-hexyl acetate 25.91
    isooctane 1.15
    2-(2-butoxyethoxy)ethanol 73.0
    sec-butyl acetate 40.25
    tert-butyl acetate 60.72
    decalin 2.72
    glycerin 55.82
    diglyme 173.49
    acrylic acid 66.32
    isopropyl myristate 12.8
    n-butyric acid 61.47
    acetyl acetate 84.13
    di(2-ethylhexyl) phthalate 17.8
    ethyl propionate 52.46
    nitromethane 243.38
    1,2-diethoxyethane 64.49
    benzonitrile 61.71
    trioctyl phosphate 9.56
    1-bromopropane 40.03
    gamma-valerolactone 137.06
    n-decanol 7.88
    triethyl phosphate 24.1
    4-methyl-2-pentanol 16.55
    propionitrile 57.87
    vinylene carbonate 78.07
    1,1,2-trichlorotrifluoroethane 148.0
    DMS 50.09
    cumene 14.57
    2-octanol 6.68
    2-hexanone 39.85
    octyl acetate 14.85
    limonene 15.59
    1,2-dimethoxyethane 139.12
    ethyl orthosilicate 21.65
    tributyl phosphate 12.74
    diacetone alcohol 73.82
    N,N-dimethylaniline 37.43
    acrylonitrile 97.77
    aniline 58.92
    1,3-propanediol 66.95
    bromobenzene 60.56
    dibromomethane 121.61
    1,1,2,2-tetrachloroethane 194.71
    2-methyl-cyclohexyl acetate 33.74
    tetrabutyl urea 17.8
    diisobutyl methanol 12.9
    2-phenylethanol 44.32
    styrene 31.48
    dioctyl adipate 24.15
    dimethyl sulfate 68.31
    ethyl butyrate 39.17
    methyl lactate 44.18
    butyl lactate 20.42
    diethyl carbonate 36.41
    propanediol butyl ether 32.87
    triethyl orthoformate 29.05
    p-tert-butyltoluene 12.16
    methyl 4-tert-butylbenzoate 42.73
    morpholine 129.28
    tert-butylamine 21.0
    n-dodecanol 6.49
    dimethoxymethane 114.36
    ethylene carbonate 57.57
    cyrene 56.07
    2-ethoxyethyl acetate 50.44
    2-ethylhexyl acetate 31.49
    1,2,4-trichlorobenzene 66.35
    4-methylpyridine 91.49
    dibutyl ether 13.91
    2,6-dimethyl-4-heptanol 12.9
    DEF 61.77
    dimethyl isosorbide 83.34
    tetrachloroethylene 133.33
    eugenol 45.75
    triacetin 48.46
    span 80 32.12
    1,4-butanediol 25.53
    1,1-dichloroethane 92.98
    2-methyl-1-pentanol 26.93
    methyl formate 74.91
    2-methyl-1-butanol 21.33
    n-decane 1.06
    butyronitrile 42.39
    3,7-dimethyl-1-octanol 14.63
    1-chlorooctane 6.32
    1-chlorotetradecane 3.41
    n-nonane 0.8
    undecane 0.9
    tert-butylcyclohexane 2.22
    cyclooctane 1.33
    cyclopentanol 22.86
    tetrahydropyran 71.3
    tert-amyl methyl ether 30.79
    2,5,8-trioxanonane 110.77
    1-hexene 4.85
    2-isopropoxyethanol 64.16
    2,2,2-trifluoroethanol 59.32
    methyl butyrate 59.71

    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