Geranyl phenylacetate

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  • Identifiers

    CAS number
    102-22-7

    Molecular formula
    C18H24O2

    SMILES
    CC(=CCC/C(=C/COC(=O)CC1=CC=CC=C1)/C)C

  • Odor profile

    Fragrance
    Floral 87.2%
    Rose 84.34%
    Sweet 78.25%
    Honey 68.23%
    Balsamic 58.88%
    Waxy 51.7%
    Fruity 50.83%
    Powdery 44.07%
    Green 43.96%
    Geranium 42.25%

     

    Flavor
    Rose 57.48%
    Floral 56.82%
    Green 55.22%
    Waxy 51.5%
    Sweet 47.17%
    Bitter 39.91%
    Honey 39.43%
    Balsam 35.79%
    Fruity 33.72%
    Fresh 28.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.87 (neutral)

    Molecular weight
    272.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point

    • 153.2 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in oils
    • 1 mL in 4 mL 90% ethanol (in ethanol)

  • Synonyms

    • Geranyl phenylacetate
    • 102-22-7
    • Phenylacetic acid, geranyl ester
    • Geranyl alpha-toluate
    • Geranyl .alpha.-toluate
    • FEMA No. 2516
    • Benzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
    • BENZENEACETIC ACID, 3,7-DIMETHYL-2,6-OCTADIENYL ESTER, (E)-
    • trans-3,7-Dimethyl-2,6-octadienyl phenylacetate
    • EINECS 203-014-7
    • NSC 147477
    • BRN 5033401
    • Acetic acid, phenyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • AI3-24148
    • [(2E)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate
    • 62A4GG7D57
    • Acetic acid, phenyl-, geranyl ester
    • Benzeneacetic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
    • NSC-147477
    • 3,7-Dimethyl-2,6-octadienyl phenylacetate, (E)-
    • 3,7-Dimethyl-2,6-octadienyl benzeneacetate, (E)-
    • trans-3,7-Dimethyl-2,6-octadien-1-yl phenylacetate
    • GERANYL PHENYLACETATE [FCC]
    • GERANYL PHENYLACETATE [FHFI]
    • 3,7-DIMETHYL-2,6-OCTADIEN-1-YL PHENYLACETATE
    • UNII-62A4GG7D57
    • Acetic acid, phenyl-, geranyl ester (6CI)
    • Geranyl phenylacetate, FCC
    • (2Z)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL 2-PHENYLACETATE
    • SCHEMBL272534
    • SCHEMBL272535
    • DTXSID1051513
    • CHEBI:173940
    • trans-3,6-octadienyl phenylacetate
    • NSC147477
    • AKOS015890781
    • DB-243565
    • NS00012504
    • Trans-3 7-dimethyl-2,6-octadienyl phenylacetate
    • (2E)-3,7-Dimethyl-2,6-octadienyl phenylacetate #
    • (1E)-2,6-Dimethylhepta-1,5-dien-1-yl phenylacetate
    • Q27263472
    • Acetic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • Benzeneacetic acid,7-dimethyl-2,6-octadienyl ester, (E)-
    • (2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL 2-PHENYLACETATE
    • Acetic acid, phenyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-(8CI)
    • 203-014-7

  • Applications

    Geranyl phenylacetate is primarily used as a fragrance ingredient in perfumery and cosmetics, imparting green, floral notes; it may also serve as a fragrance component and, in some formulations, as a fixative. In household products, it can be included to provide pleasant scent in cleaners and air fresheners. Owing to its ester characteristics, the compound is evaluated for use in coatings, inks, and polymer formulations to impart fragrance or enhance scent retention. It is important to note that use is subject to local regulations and formulation limits, and it is typically considered as a fragrance/odorant ingredient rather than a therapeutic or food additive. Potential applications include perfumery/fragrance, cosmetics/personal care, household products, and coatings/polymers with fragrance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 363.03
    methanol 337.03
    isopropanol 199.7
    water 0.11
    ethyl acetate 363.76
    n-propanol 255.11
    acetone 240.95
    n-butanol 240.62
    acetonitrile 176.0
    DMF 196.91
    toluene 179.6
    isobutanol 141.53
    1,4-dioxane 666.64
    methyl acetate 245.76
    THF 667.61
    2-butanone 289.14
    n-pentanol 188.29
    sec-butanol 200.65
    n-hexane 16.86
    ethylene glycol 17.13
    NMP 179.74
    cyclohexane 39.35
    DMSO 311.33
    n-butyl acetate 212.15
    n-octanol 61.38
    chloroform 1087.97
    n-propyl acetate 207.98
    acetic acid 162.41
    dichloromethane 898.37
    cyclohexanone 332.92
    propylene glycol 73.72
    isopropyl acetate 189.77
    DMAc 384.84
    2-ethoxyethanol 285.68
    isopentanol 180.59
    n-heptane 12.77
    ethyl formate 129.37
    1,2-dichloroethane 518.24
    n-hexanol 180.66
    2-methoxyethanol 373.17
    isobutyl acetate 136.26
    tetrachloromethane 60.55
    n-pentyl acetate 108.7
    transcutol 1264.36
    n-heptanol 70.6
    ethylbenzene 105.6
    MIBK 149.07
    2-propoxyethanol 316.5
    tert-butanol 216.58
    MTBE 225.18
    2-butoxyethanol 168.27
    propionic acid 124.44
    o-xylene 96.53
    formic acid 38.75
    diethyl ether 343.71
    m-xylene 107.09
    p-xylene 127.86
    chlorobenzene 209.61
    dimethyl carbonate 73.24
    n-octane 5.29
    formamide 81.56
    cyclopentanone 291.74
    2-pentanone 222.98
    anisole 237.44
    cyclopentyl methyl ether 240.42
    gamma-butyrolactone 279.75
    1-methoxy-2-propanol 297.9
    pyridine 384.37
    3-pentanone 184.07
    furfural 251.28
    n-dodecane 5.18
    diethylene glycol 154.58
    diisopropyl ether 65.91
    tert-amyl alcohol 186.73
    acetylacetone 244.37
    n-hexadecane 6.05
    acetophenone 194.64
    methyl propionate 204.32
    isopentyl acetate 192.93
    trichloroethylene 840.93
    n-nonanol 64.26
    cyclohexanol 163.24
    benzyl alcohol 164.42
    2-ethylhexanol 103.83
    isooctanol 62.32
    dipropyl ether 159.12
    1,2-dichlorobenzene 190.71
    ethyl lactate 92.77
    propylene carbonate 178.42
    n-methylformamide 94.68
    2-pentanol 144.67
    n-pentane 11.9
    1-propoxy-2-propanol 233.84
    1-methoxy-2-propyl acetate 249.42
    2-(2-methoxypropoxy) propanol 217.2
    mesitylene 62.21
    ε-caprolactone 279.43
    p-cymene 58.49
    epichlorohydrin 540.9
    1,1,1-trichloroethane 327.81
    2-aminoethanol 84.43
    morpholine-4-carbaldehyde 303.76
    sulfolane 283.73
    2,2,4-trimethylpentane 11.66
    2-methyltetrahydrofuran 410.64
    n-hexyl acetate 155.17
    isooctane 7.83
    2-(2-butoxyethoxy)ethanol 301.2
    sec-butyl acetate 155.78
    tert-butyl acetate 188.81
    decalin 23.66
    glycerin 77.53
    diglyme 573.09
    acrylic acid 80.95
    isopropyl myristate 71.18
    n-butyric acid 242.78
    acetyl acetate 182.37
    di(2-ethylhexyl) phthalate 76.66
    ethyl propionate 176.95
    nitromethane 265.73
    1,2-diethoxyethane 365.54
    benzonitrile 155.42
    trioctyl phosphate 44.5
    1-bromopropane 281.65
    gamma-valerolactone 396.47
    n-decanol 47.94
    triethyl phosphate 91.33
    4-methyl-2-pentanol 80.07
    propionitrile 161.31
    vinylene carbonate 160.29
    1,1,2-trichlorotrifluoroethane 286.92
    DMS 136.95
    cumene 70.51
    2-octanol 44.86
    2-hexanone 193.33
    octyl acetate 85.63
    limonene 82.92
    1,2-dimethoxyethane 471.48
    ethyl orthosilicate 92.73
    tributyl phosphate 61.77
    diacetone alcohol 200.26
    N,N-dimethylaniline 148.97
    acrylonitrile 150.33
    aniline 178.18
    1,3-propanediol 147.04
    bromobenzene 222.8
    dibromomethane 552.91
    1,1,2,2-tetrachloroethane 759.46
    2-methyl-cyclohexyl acetate 158.56
    tetrabutyl urea 84.26
    diisobutyl methanol 59.79
    2-phenylethanol 162.61
    styrene 133.09
    dioctyl adipate 121.96
    dimethyl sulfate 97.82
    ethyl butyrate 180.9
    methyl lactate 86.9
    butyl lactate 100.62
    diethyl carbonate 125.83
    propanediol butyl ether 137.2
    triethyl orthoformate 138.21
    p-tert-butyltoluene 55.43
    methyl 4-tert-butylbenzoate 152.89
    morpholine 762.73
    tert-butylamine 121.16
    n-dodecanol 37.31
    dimethoxymethane 276.46
    ethylene carbonate 145.78
    cyrene 156.17
    2-ethoxyethyl acetate 201.19
    2-ethylhexyl acetate 154.27
    1,2,4-trichlorobenzene 221.59
    4-methylpyridine 312.96
    dibutyl ether 121.79
    2,6-dimethyl-4-heptanol 59.79
    DEF 216.59
    dimethyl isosorbide 359.96
    tetrachloroethylene 371.07
    eugenol 154.79
    triacetin 192.44
    span 80 170.63
    1,4-butanediol 57.51
    1,1-dichloroethane 411.04
    2-methyl-1-pentanol 173.61
    methyl formate 67.85
    2-methyl-1-butanol 163.91
    n-decane 9.37
    butyronitrile 196.93
    3,7-dimethyl-1-octanol 78.15
    1-chlorooctane 51.54
    1-chlorotetradecane 21.53
    n-nonane 8.05
    undecane 6.7
    tert-butylcyclohexane 20.91
    cyclooctane 9.89
    cyclopentanol 116.47
    tetrahydropyran 600.14
    tert-amyl methyl ether 162.17
    2,5,8-trioxanonane 397.37
    1-hexene 101.3
    2-isopropoxyethanol 195.24
    2,2,2-trifluoroethanol 39.17
    methyl butyrate 223.05

    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