Geranyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10402-47-8

    Molecular formula
    C15H26O2

    SMILES
    CCCCC(=O)OC/C=C(\C)/CCC=C(C)C

    Retention indicies (RI)

    • Carbowax: 1967.0

  • Odor profile

    Fruity 86.02%
    Rose 76.86%
    Floral 72.9%
    Apple 55.33%
    Sweet 51.09%
    Green 47.92%
    Waxy 47.74%
    Winey 47.19%
    Tropical 45.99%
    Geranium 43.21%

    Scent© AI

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.48 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point est.
    125.28 ˚C

    Solubility expt.

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

  • Synonyms

    • Geranyl valerate
    • 10402-47-8
    • geranyl pentanoate
    • [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate
    • Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
    • Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • 317HUA93QY
    • GERANIOL VALERATE
    • EINECS 233-869-1
    • (E)-GERANYL VALERATE
    • AI3-24389
    • GERANYL VALERATE [FHFI]
    • FEMA NO. 4123
    • Pentanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
    • DTXSID30883126
    • Valeric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
    • (E)-3,7-Dimethyl-2,6-octadienyl pentanoate
    • (2E)-3,7-Dimethyl-2,6-octadienyl pentanoate
    • WE(8:2(2E,6E)(3Me,7Me)/5:0)
    • (E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL PENTANOATE
    • ((2E)-3,7-dimethylocta-2,6-dienyl) pentanoate
    • UNII-317HUA93QY
    • SCHEMBL309723
    • SCHEMBL309724
    • DTXCID70909576
    • LMFA07010617
    • DB-254886
    • NS00052162
    • Y13482
    • Q27256022
    • (E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YLPENTANOATE
    • (2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL PENTANOATE
    • 233-869-1

  • Applications

    (E)-Geranyl valerate, also known as geranyl pentanoate, is a monoterpene ester with a soft sweet floral-fruity scent employed as a fragrance ingredient in fine perfumes, soaps, detergents, deodorants and scented candles, and as a natural flavor contributor in confectionery, beverages, dairy products and seasonings by enhancing citrus, peach and pineapple notes; within food technology it acts as a flavor modulator in essential-oil blends, smooths the harsh edges of spirits and stabilizes fruit-juice aromas; furthermore, the ester is being studied as a bio-derived precursor for anti-inflammatory and antimicrobial agents, a semisynthetic building block for terpene-based pharmaceuticals, vitamin A and carotenoid pigments, as well as a green additive that elevates lubrication and bioavailability in biodiesel fuels.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1318.52
    methanol 1062.38
    isopropanol 994.11
    water 0.12
    ethyl acetate 969.09
    n-propanol 871.98
    acetone 786.66
    n-butanol 973.0
    acetonitrile 509.94
    DMF 548.47
    toluene 534.69
    isobutanol 622.62
    1,4-dioxane 1639.82
    methyl acetate 552.35
    THF 1832.05
    2-butanone 757.52
    n-pentanol 751.77
    sec-butanol 933.62
    n-hexane 251.44
    ethylene glycol 45.35
    NMP 534.23
    cyclohexane 393.51
    DMSO 602.26
    n-butyl acetate 813.04
    n-octanol 305.72
    chloroform 1949.17
    n-propyl acetate 634.22
    acetic acid 493.17
    dichloromethane 1587.12
    cyclohexanone 1140.47
    propylene glycol 165.13
    isopropyl acetate 644.54
    DMAc 681.87
    2-ethoxyethanol 689.24
    isopentanol 867.32
    n-heptane 102.99
    ethyl formate 358.11
    1,2-dichloroethane 994.2
    n-hexanol 784.72
    2-methoxyethanol 889.78
    isobutyl acetate 425.68
    tetrachloromethane 255.67
    n-pentyl acetate 460.98
    transcutol 2538.6
    n-heptanol 314.94
    ethylbenzene 338.46
    MIBK 476.93
    2-propoxyethanol 831.15
    tert-butanol 1218.23
    MTBE 1206.37
    2-butoxyethanol 504.08
    propionic acid 357.2
    o-xylene 316.53
    formic acid 91.66
    diethyl ether 1230.88
    m-xylene 343.55
    p-xylene 436.08
    chlorobenzene 541.78
    dimethyl carbonate 109.68
    n-octane 40.36
    formamide 140.7
    cyclopentanone 776.28
    2-pentanone 724.5
    anisole 501.38
    cyclopentyl methyl ether 847.81
    gamma-butyrolactone 679.51
    1-methoxy-2-propanol 703.95
    pyridine 1034.77
    3-pentanone 463.25
    furfural 597.8
    n-dodecane 28.01
    diethylene glycol 332.61
    diisopropyl ether 347.99
    tert-amyl alcohol 1031.84
    acetylacetone 601.69
    n-hexadecane 32.82
    acetophenone 418.83
    methyl propionate 414.33
    isopentyl acetate 747.52
    trichloroethylene 1599.46
    n-nonanol 286.59
    cyclohexanol 861.96
    benzyl alcohol 398.37
    2-ethylhexanol 480.02
    isooctanol 263.87
    dipropyl ether 553.32
    1,2-dichlorobenzene 454.37
    ethyl lactate 214.49
    propylene carbonate 479.45
    n-methylformamide 220.49
    2-pentanol 728.88
    n-pentane 155.53
    1-propoxy-2-propanol 689.61
    1-methoxy-2-propyl acetate 592.97
    2-(2-methoxypropoxy) propanol 514.28
    mesitylene 221.01
    ε-caprolactone 891.89
    p-cymene 192.57
    epichlorohydrin 1115.38
    1,1,1-trichloroethane 999.67
    2-aminoethanol 207.54
    morpholine-4-carbaldehyde 716.93
    sulfolane 673.71
    2,2,4-trimethylpentane 85.54
    2-methyltetrahydrofuran 1526.59
    n-hexyl acetate 650.06
    isooctane 61.63
    2-(2-butoxyethoxy)ethanol 727.68
    sec-butyl acetate 503.76
    tert-butyl acetate 630.63
    decalin 148.68
    glycerin 164.76
    diglyme 1214.91
    acrylic acid 205.81
    isopropyl myristate 241.57
    n-butyric acid 844.23
    acetyl acetate 448.33
    di(2-ethylhexyl) phthalate 217.37
    ethyl propionate 484.07
    nitromethane 545.72
    1,2-diethoxyethane 999.35
    benzonitrile 470.39
    trioctyl phosphate 144.09
    1-bromopropane 813.29
    gamma-valerolactone 1012.26
    n-decanol 202.1
    triethyl phosphate 212.33
    4-methyl-2-pentanol 385.38
    propionitrile 473.13
    vinylene carbonate 383.51
    1,1,2-trichlorotrifluoroethane 591.3
    DMS 320.19
    cumene 229.55
    2-octanol 233.77
    2-hexanone 638.69
    octyl acetate 294.32
    limonene 333.23
    1,2-dimethoxyethane 1224.74
    ethyl orthosilicate 237.17
    tributyl phosphate 197.67
    diacetone alcohol 564.64
    N,N-dimethylaniline 341.0
    acrylonitrile 361.5
    aniline 505.33
    1,3-propanediol 438.31
    bromobenzene 604.96
    dibromomethane 1184.64
    1,1,2,2-tetrachloroethane 1511.4
    2-methyl-cyclohexyl acetate 444.99
    tetrabutyl urea 236.37
    diisobutyl methanol 249.05
    2-phenylethanol 440.0
    styrene 415.72
    dioctyl adipate 345.01
    dimethyl sulfate 143.28
    ethyl butyrate 548.31
    methyl lactate 161.06
    butyl lactate 313.72
    diethyl carbonate 322.84
    propanediol butyl ether 401.86
    triethyl orthoformate 376.67
    p-tert-butyltoluene 179.48
    methyl 4-tert-butylbenzoate 368.8
    morpholine 2050.57
    tert-butylamine 847.84
    n-dodecanol 150.5
    dimethoxymethane 520.41
    ethylene carbonate 368.64
    cyrene 344.54
    2-ethoxyethyl acetate 560.64
    2-ethylhexyl acetate 597.44
    1,2,4-trichlorobenzene 532.72
    4-methylpyridine 1046.06
    dibutyl ether 541.25
    2,6-dimethyl-4-heptanol 249.05
    DEF 651.32
    dimethyl isosorbide 726.86
    tetrachloroethylene 878.5
    eugenol 363.36
    triacetin 471.26
    span 80 494.39
    1,4-butanediol 168.61
    1,1-dichloroethane 1083.32
    2-methyl-1-pentanol 694.39
    methyl formate 134.67
    2-methyl-1-butanol 738.42
    n-decane 54.49
    butyronitrile 740.1
    3,7-dimethyl-1-octanol 347.89
    1-chlorooctane 230.07
    1-chlorotetradecane 86.95
    n-nonane 53.9
    undecane 37.17
    tert-butylcyclohexane 130.81
    cyclooctane 96.78
    cyclopentanol 558.91
    tetrahydropyran 2168.83
    tert-amyl methyl ether 760.89
    2,5,8-trioxanonane 778.92
    1-hexene 745.96
    2-isopropoxyethanol 517.85
    2,2,2-trifluoroethanol 90.56
    methyl butyrate 688.31

    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
Geranium (China, Yunnan) 6 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.22%
Geranium (Rwanda) 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, fam. Geraniaceae 0.18%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Thymus funkii Thymus funkii Cosson, fam. Lamiaceae (Labiatae) 0.05%
Palmarosa (India) 8 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. motia Burk., fam. Poaceae 0.2%
Palmarosa (India) 10a Spikelet 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. motia, fam. Poaceae (Gramineae) 0.12%
Palmarosa (India) 10b Raceme 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. motia, fam. Poaceae (Gramineae) 0.05%
Palmarosa (India) 10c Spathe 8014-19-5 Cymbopogon martini (Roxb.) Wats, var. motia, fam. Poaceae (Gramineae) 0.08%
Geranium (India) 14a 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 0.2%
Geranium (India) 14b 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 0.1%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.1%
Geranium (India) 15b cv. Kunti variant 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv.Kunti variant, fam. Geraniace 0.1%
Geranium (India) 12a Genotype 1 'Algerian' 8000-46-2 Pelargonium species, fam. Geraniaceae 0.2%
Geranium (India) 12b Genotype 2 'Bourbon' 8000-46-2 Pelargonium species, fam. Geraniaceae 0.2%
Geranium (India) 12c Genotype 3 'Kelkar' 8000-46-2 Pelargonium species, fam. Geraniaceae 0.6%