Geranyl benzoate

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  • Identifiers

    CAS number
    94-48-4

    Molecular formula
    C17H22O2

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

  • Odor profile

    Floral 85.13%
    Rose 73.53%
    Sweet 70.74%
    Balsamic 64.96%
    Fruity 50.42%
    Honey 44.13%
    Herbal 40.36%
    Powdery 37.83%
    Fresh 37.51%
    Geranium 36.68%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point est.
    151.68 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Geranyl benzoate
    • 94-48-4
    • Geraniol benzoate
    • Benzoic acid, geraniol ester
    • 2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (2E)-
    • FEMA No. 2511
    • Benzoic acid geranyl ester
    • trans-3,7-Dimethyl-2,6-octadien-1-yl benzoate
    • 3,7-dimethylocta-2,6-dien-1-yl benzoate
    • EINECS 202-337-0
    • [(2E)-3,7-dimethylocta-2,6-dienyl] benzoate
    • BRN 3119464
    • B4M42WH83V
    • AI3-35981
    • 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, BENZOATE, (E)-
    • benzoic acid geraniol ester
    • GERANYL BENZOATE [FCC]
    • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-benzoate, (2E)-
    • GERANYL BENZOATE [FHFI]
    • CHEBI:156234
    • 3-09-00-00412 (Beilstein Handbook Reference)
    • (2E)-3,7-dimethylocta-2,6-dien-1-yl benzoate
    • 3,7-DIMETHYL-2,6-OCTADIEN-1-YL BENZOATE
    • Benzoicacid,geraniolester;
    • ((2E)-3,7-dimethylocta-2,6-dienyl) benzoate
    • UNII-B4M42WH83V
    • MFCD00036513
    • (2E)-3,7-Dimethyl-2,6-octadienyl benzoate
    • (2E)-geranyl benzoate
    • (2Z)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL BENZOATE
    • Benzoic acid, geranyl ester
    • SCHEMBL584936
    • SCHEMBL584937
    • DTXSID4052637
    • AAA09448
    • 3,7-dimethylocta-2,6-dien-1-ylbenzoate
    • NS00012494
    • D93581
    • (E)-3,7-Dimethylocta-2,6-dien-1-yl benzoate
    • 2,6-Octadien-1-ol, 3,7-dimethyl, benzoate, (E)-
    • 2,6-Octadien-1-ol,3,7-dimethyl-,1-benzoate,(2E)-
    • Q27274360
    • (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL BENZOATE
    • 202-337-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 514.23
    methanol 386.12
    isopropanol 324.28
    water 0.04
    ethyl acetate 847.4
    n-propanol 418.63
    acetone 387.92
    n-butanol 417.15
    acetonitrile 340.3
    DMF 272.3
    toluene 449.79
    isobutanol 260.1
    1,4-dioxane 826.56
    methyl acetate 479.62
    THF 890.39
    2-butanone 643.92
    n-pentanol 296.27
    sec-butanol 435.7
    n-hexane 56.1
    ethylene glycol 12.05
    NMP 252.02
    cyclohexane 97.12
    DMSO 280.07
    n-butyl acetate 433.91
    n-octanol 95.04
    chloroform 1597.99
    n-propyl acetate 400.92
    acetic acid 200.97
    dichloromethane 1514.06
    cyclohexanone 664.96
    propylene glycol 56.09
    isopropyl acetate 406.84
    DMAc 493.86
    2-ethoxyethanol 330.89
    isopentanol 362.17
    n-heptane 24.4
    ethyl formate 206.48
    1,2-dichloroethane 1014.41
    n-hexanol 300.09
    2-methoxyethanol 427.04
    isobutyl acetate 247.52
    tetrachloromethane 103.7
    n-pentyl acetate 213.92
    transcutol 1614.73
    n-heptanol 118.91
    ethylbenzene 232.64
    MIBK 300.7
    2-propoxyethanol 387.78
    tert-butanol 371.09
    MTBE 570.98
    2-butoxyethanol 229.53
    propionic acid 170.75
    o-xylene 199.8
    formic acid 37.59
    diethyl ether 974.14
    m-xylene 240.63
    p-xylene 251.04
    chlorobenzene 427.18
    dimethyl carbonate 104.7
    n-octane 11.22
    formamide 93.54
    cyclopentanone 503.71
    2-pentanone 530.15
    anisole 397.52
    cyclopentyl methyl ether 466.5
    gamma-butyrolactone 431.9
    1-methoxy-2-propanol 353.33
    pyridine 746.67
    3-pentanone 423.11
    furfural 352.69
    n-dodecane 8.96
    diethylene glycol 148.29
    diisopropyl ether 169.87
    tert-amyl alcohol 403.38
    acetylacetone 395.32
    n-hexadecane 10.54
    acetophenone 318.42
    methyl propionate 393.88
    isopentyl acetate 381.5
    trichloroethylene 1624.45
    n-nonanol 96.46
    cyclohexanol 322.49
    benzyl alcohol 237.64
    2-ethylhexanol 179.52
    isooctanol 113.64
    dipropyl ether 264.56
    1,2-dichlorobenzene 339.35
    ethyl lactate 120.39
    propylene carbonate 275.39
    n-methylformamide 130.78
    2-pentanol 330.0
    n-pentane 40.51
    1-propoxy-2-propanol 309.69
    1-methoxy-2-propyl acetate 374.36
    2-(2-methoxypropoxy) propanol 280.08
    mesitylene 126.81
    ε-caprolactone 529.26
    p-cymene 94.14
    epichlorohydrin 920.64
    1,1,1-trichloroethane 689.29
    2-aminoethanol 74.1
    morpholine-4-carbaldehyde 366.14
    sulfolane 373.77
    2,2,4-trimethylpentane 30.81
    2-methyltetrahydrofuran 821.26
    n-hexyl acetate 270.88
    isooctane 21.66
    2-(2-butoxyethoxy)ethanol 406.91
    sec-butyl acetate 319.92
    tert-butyl acetate 368.93
    decalin 49.63
    glycerin 61.39
    diglyme 741.55
    acrylic acid 104.57
    isopropyl myristate 111.03
    n-butyric acid 388.76
    acetyl acetate 306.08
    di(2-ethylhexyl) phthalate 99.25
    ethyl propionate 359.38
    nitromethane 360.0
    1,2-diethoxyethane 609.47
    benzonitrile 272.32
    trioctyl phosphate 62.43
    1-bromopropane 734.06
    gamma-valerolactone 577.51
    n-decanol 70.6
    triethyl phosphate 121.7
    4-methyl-2-pentanol 155.24
    propionitrile 327.85
    vinylene carbonate 236.36
    1,1,2-trichlorotrifluoroethane 347.34
    DMS 214.29
    cumene 128.8
    2-octanol 83.68
    2-hexanone 381.81
    octyl acetate 133.94
    limonene 146.42
    1,2-dimethoxyethane 622.31
    ethyl orthosilicate 127.31
    tributyl phosphate 89.46
    diacetone alcohol 319.26
    N,N-dimethylaniline 228.07
    acrylonitrile 281.76
    aniline 332.17
    1,3-propanediol 163.6
    bromobenzene 476.12
    dibromomethane 1025.56
    1,1,2,2-tetrachloroethane 1313.18
    2-methyl-cyclohexyl acetate 230.6
    tetrabutyl urea 112.46
    diisobutyl methanol 97.7
    2-phenylethanol 241.93
    styrene 281.84
    dioctyl adipate 167.98
    dimethyl sulfate 122.71
    ethyl butyrate 327.1
    methyl lactate 101.79
    butyl lactate 149.94
    diethyl carbonate 195.86
    propanediol butyl ether 169.99
    triethyl orthoformate 204.13
    p-tert-butyltoluene 89.83
    methyl 4-tert-butylbenzoate 217.22
    morpholine 1111.44
    tert-butylamine 248.32
    n-dodecanol 53.28
    dimethoxymethane 377.4
    ethylene carbonate 212.47
    cyrene 184.01
    2-ethoxyethyl acetate 332.63
    2-ethylhexyl acetate 311.6
    1,2,4-trichlorobenzene 369.4
    4-methylpyridine 694.07
    dibutyl ether 215.73
    2,6-dimethyl-4-heptanol 97.7
    DEF 480.42
    dimethyl isosorbide 442.65
    tetrachloroethylene 644.76
    eugenol 210.86
    triacetin 259.23
    span 80 213.82
    1,4-butanediol 54.01
    1,1-dichloroethane 900.66
    2-methyl-1-pentanol 315.94
    methyl formate 83.09
    2-methyl-1-butanol 362.21
    n-decane 16.21
    butyronitrile 439.9
    3,7-dimethyl-1-octanol 133.33
    1-chlorooctane 97.32
    1-chlorotetradecane 35.47
    n-nonane 15.1
    undecane 11.49
    tert-butylcyclohexane 43.58
    cyclooctane 25.59
    cyclopentanol 188.19
    tetrahydropyran 1152.07
    tert-amyl methyl ether 413.07
    2,5,8-trioxanonane 469.06
    1-hexene 288.35
    2-isopropoxyethanol 261.8
    2,2,2-trifluoroethanol 44.43
    methyl butyrate 445.32

    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
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Cinnamon leaf (India) 4 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.05%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%