2-Phenoxyethyl homovanillate

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  • Identifiers

    CAS number
    1962956-83-7

    Molecular formula
    C17H18O5

    SMILES
    COC1=C(C=CC(=C1)CC(=O)OCCOC2=CC=CC=C2)O

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 56.83%
    Sweet 54.92%
    Floral 54.74%
    Vanilla 53.29%
    Spicy 47.58%
    Powdery 42.54%
    Phenolic 41.76%
    Honey 37.92%
    Aromatic 30.5%
    Woody 29.5%

     

    Flavor
    Sweet 67.59%
    Floral 51.93%
    Bitter 45.58%
    Balsam 44.85%
    Powdery 38.26%
    Vanilla 36.39%
    Flower 33.4%
    Creamy 33.28%
    Woody 32.33%
    Balsamic 30.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.66 (weak base)

    Molecular weight
    302.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    457°C

    Flash point

    • 200.5 ˚C est.

    Solubility expt.

    • Slightly soluble
    • Soluble (in ethanol)

  • Synonyms

    • Fema No. 4871
    • 2-Phenoxyethyl homovanillate
    • GU19E93KTN
    • UNII-GU19E93KTN
    • 2-Phenoxyethyl 2-(4-hydroxy-3-methoxyphenyl)acetate
    • RefChem:197917
    • 2-phenoxyethyl homovanilate
    • Benzeneacetic acid, 4-hydroxy-3-methoxy-, 2-phenoxyethyl ester
    • 1962956-83-7
    • SCHEMBL19839959
    • SCHEMBL29577821
    • 1962956-83-7

  • Applications

    2-Phenoxyethyl homovanillate (CAS 1962956-83-7) is primarily considered for fragrance-related applications. In perfumery, it may serve as a scent ingredient or fixative with a vanilla/vanillate-like aroma, and is commonly evaluated for use in fragrance formulations for cosmetics and household cleaning products, as well as in related personal care applications. It may be evaluated for use in coatings and inks to impart vanilla-like notes, and in polymer and plastics formulations as an odorant additive or processing aid. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.78
    methanol 22.55
    isopropanol 15.19
    water 0.11
    ethyl acetate 47.83
    n-propanol 18.42
    acetone 143.28
    n-butanol 13.69
    acetonitrile 68.24
    DMF 206.21
    toluene 9.91
    isobutanol 11.43
    1,4-dioxane 95.66
    methyl acetate 65.19
    THF 345.3
    2-butanone 79.75
    n-pentanol 14.3
    sec-butanol 19.3
    n-hexane 1.02
    ethylene glycol 14.49
    NMP 136.09
    cyclohexane 1.64
    DMSO 1268.68
    n-butyl acetate 24.18
    n-octanol 5.82
    chloroform 165.32
    n-propyl acetate 29.07
    acetic acid 87.64
    dichloromethane 248.11
    cyclohexanone 81.07
    propylene glycol 17.1
    isopropyl acetate 25.7
    DMAc 307.26
    2-ethoxyethanol 73.32
    isopentanol 12.4
    n-heptane 1.14
    ethyl formate 34.46
    1,2-dichloroethane 160.68
    n-hexanol 10.63
    2-methoxyethanol 92.08
    isobutyl acetate 13.58
    tetrachloromethane 10.42
    n-pentyl acetate 12.69
    transcutol 183.46
    n-heptanol 6.0
    ethylbenzene 6.82
    MIBK 25.65
    2-propoxyethanol 48.22
    tert-butanol 31.8
    MTBE 30.19
    2-butoxyethanol 23.14
    propionic acid 39.99
    o-xylene 8.93
    formic acid 48.15
    diethyl ether 36.41
    m-xylene 5.05
    p-xylene 8.22
    chlorobenzene 23.88
    dimethyl carbonate 50.05
    n-octane 0.54
    formamide 119.5
    cyclopentanone 167.22
    2-pentanone 46.55
    anisole 36.75
    cyclopentyl methyl ether 46.08
    gamma-butyrolactone 172.19
    1-methoxy-2-propanol 62.29
    pyridine 61.77
    3-pentanone 48.6
    furfural 127.65
    n-dodecane 0.57
    diethylene glycol 55.02
    diisopropyl ether 7.4
    tert-amyl alcohol 30.25
    acetylacetone 97.42
    n-hexadecane 0.66
    acetophenone 40.45
    methyl propionate 52.92
    isopentyl acetate 22.84
    trichloroethylene 232.44
    n-nonanol 6.54
    cyclohexanol 18.17
    benzyl alcohol 25.58
    2-ethylhexanol 8.74
    isooctanol 5.82
    dipropyl ether 19.08
    1,2-dichlorobenzene 29.61
    ethyl lactate 25.78
    propylene carbonate 61.39
    n-methylformamide 75.52
    2-pentanol 10.35
    n-pentane 0.71
    1-propoxy-2-propanol 33.45
    1-methoxy-2-propyl acetate 46.07
    2-(2-methoxypropoxy) propanol 47.54
    mesitylene 3.75
    ε-caprolactone 61.99
    p-cymene 6.03
    epichlorohydrin 235.11
    1,1,1-trichloroethane 61.03
    2-aminoethanol 21.38
    morpholine-4-carbaldehyde 128.11
    sulfolane 301.29
    2,2,4-trimethylpentane 1.1
    2-methyltetrahydrofuran 86.92
    n-hexyl acetate 18.4
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 49.57
    sec-butyl acetate 17.52
    tert-butyl acetate 34.9
    decalin 1.54
    glycerin 43.28
    diglyme 122.44
    acrylic acid 50.5
    isopropyl myristate 9.58
    n-butyric acid 34.14
    acetyl acetate 42.72
    di(2-ethylhexyl) phthalate 12.56
    ethyl propionate 31.97
    nitromethane 281.44
    1,2-diethoxyethane 46.21
    benzonitrile 27.37
    trioctyl phosphate 7.98
    1-bromopropane 37.23
    gamma-valerolactone 140.99
    n-decanol 5.18
    triethyl phosphate 24.72
    4-methyl-2-pentanol 6.62
    propionitrile 36.15
    vinylene carbonate 58.35
    1,1,2-trichlorotrifluoroethane 147.68
    DMS 39.34
    cumene 5.45
    2-octanol 4.05
    2-hexanone 32.04
    octyl acetate 12.22
    limonene 9.36
    1,2-dimethoxyethane 134.34
    ethyl orthosilicate 21.24
    tributyl phosphate 12.78
    diacetone alcohol 47.72
    N,N-dimethylaniline 24.27
    acrylonitrile 55.65
    aniline 23.08
    1,3-propanediol 28.06
    bromobenzene 22.99
    dibromomethane 118.38
    1,1,2,2-tetrachloroethane 174.03
    2-methyl-cyclohexyl acetate 24.75
    tetrabutyl urea 18.38
    diisobutyl methanol 7.0
    2-phenylethanol 19.96
    styrene 9.61
    dioctyl adipate 22.35
    dimethyl sulfate 138.73
    ethyl butyrate 28.5
    methyl lactate 41.79
    butyl lactate 16.55
    diethyl carbonate 26.29
    propanediol butyl ether 19.73
    triethyl orthoformate 26.05
    p-tert-butyltoluene 5.61
    methyl 4-tert-butylbenzoate 33.65
    morpholine 106.92
    tert-butylamine 13.08
    n-dodecanol 4.26
    dimethoxymethane 124.74
    ethylene carbonate 44.62
    cyrene 52.54
    2-ethoxyethyl acetate 31.11
    2-ethylhexyl acetate 17.21
    1,2,4-trichlorobenzene 38.48
    4-methylpyridine 40.82
    dibutyl ether 13.05
    2,6-dimethyl-4-heptanol 7.0
    DEF 66.02
    dimethyl isosorbide 83.7
    tetrachloroethylene 94.23
    eugenol 29.69
    triacetin 41.46
    span 80 25.5
    1,4-butanediol 15.07
    1,1-dichloroethane 74.29
    2-methyl-1-pentanol 13.62
    methyl formate 70.11
    2-methyl-1-butanol 13.26
    n-decane 0.99
    butyronitrile 25.94
    3,7-dimethyl-1-octanol 7.71
    1-chlorooctane 4.96
    1-chlorotetradecane 2.31
    n-nonane 0.82
    undecane 0.72
    tert-butylcyclohexane 1.16
    cyclooctane 0.63
    cyclopentanol 25.93
    tetrahydropyran 67.85
    tert-amyl methyl ether 27.21
    2,5,8-trioxanonane 96.95
    1-hexene 5.25
    2-isopropoxyethanol 38.89
    2,2,2-trifluoroethanol 55.29
    methyl butyrate 40.66

    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