Citronellyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    7540-53-6

    Molecular formula
    C15H28O2

    SMILES
    CCCCC(=O)OCCC(C)CCC=C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 83.69%
    Fruity 81.34%
    Rose 79.91%
    Sweet 50.68%
    Waxy 48.0%
    Geranium 46.41%
    Apple 46.41%
    Herbal 45.48%
    Winey 42.45%
    Green 41.41%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 237.00 to 240.00 °C. @ 760.00 mm Hg

    Flash point est.
    118.06 ˚C

  • Synonyms

    • CITRONELLYL VALERATE
    • 7540-53-6
    • Citronellyl pentanoate
    • 3,7-dimethyloct-6-enyl pentanoate
    • Pentanoic acid, 3,7-dimethyl-6-octen-1-yl ester
    • Pentanoic acid, 3,7-dimethyl-6-octenyl ester
    • 3,7-Dimethyloct-6-enyl valerate
    • FEMA No. 2317
    • UNII-43TPH8V20B
    • 3,7-Dimethyl-6-octen-1-yl valerate
    • 43TPH8V20B
    • EINECS 231-416-2
    • 3,7-dimethyloct-6-en-1-yl pentanoate
    • 3,7-Dimethyl-6-octen-1-yl pentanoate
    • AI3-24388
    • FEMA 2317
    • DTXSID00864088
    • Valeric acid, 3,7-dimethyl-6-octen-1-yl ester
    • CITRONELLYL VALERATE [FHFI]
    • (+/-)-CITRONELLYL VALERATE
    • CITRONELLYL VALERATE, (+/-)-
    • Citronellyl pentanoic acid
    • SCHEMBL310419
    • DTXCID90812639
    • CHEBI:171851
    • LMFA07010819
    • E469
    • DB-254260
    • NS00047107
    • Q27258668

  • Applications

    Citronellyl valerate (CAS 7540-53-6) is a fragrance ester with a sweet fruity, citrus–rosy character used widely in fine fragrances and personal care (lotions, shower gels, soaps, shampoos, deodorants), home and fabric care (dishwashing liquids, laundry detergents, softeners, surface cleaners), and air care products (aerosol/gel air fresheners, reed diffusers, scented candles); it rounds citrus–floral accords, boosts top-note lift while extending the middle note compared with lighter esters, and shows good stability in alkaline soap and surfactant systems; commonly employed as a modifier/blender to soften aldehydic and green facets and to harmonize with linalool, citronellol, geraniol and ionones; it is also used for base-odor masking in technical formulations and in fragrance R&D for stability testing and as a reference material, with usage levels set according to safety guidelines/IFRA and the requirements of the end application.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3418.65
    methanol 2737.53
    isopropanol 2795.93
    water 0.14
    ethyl acetate 2264.37
    n-propanol 2328.2
    acetone 2265.13
    n-butanol 2444.99
    acetonitrile 1326.86
    DMF 1121.47
    toluene 992.24
    isobutanol 1702.84
    1,4-dioxane 3384.1
    methyl acetate 1246.6
    THF 3908.46
    2-butanone 1885.16
    n-pentanol 1747.96
    sec-butanol 2335.1
    n-hexane 621.94
    ethylene glycol 94.53
    NMP 944.67
    cyclohexane 1028.68
    DMSO 1265.06
    n-butyl acetate 1946.2
    n-octanol 700.97
    chloroform 3706.72
    n-propyl acetate 1499.78
    acetic acid 1100.28
    dichloromethane 3101.36
    cyclohexanone 2754.13
    propylene glycol 335.56
    isopropyl acetate 1497.13
    DMAc 1075.01
    2-ethoxyethanol 1423.05
    isopentanol 2101.81
    n-heptane 257.76
    ethyl formate 908.49
    1,2-dichloroethane 1969.0
    n-hexanol 1825.64
    2-methoxyethanol 1886.69
    isobutyl acetate 909.71
    tetrachloromethane 563.43
    n-pentyl acetate 1085.93
    transcutol 4504.28
    n-heptanol 689.13
    ethylbenzene 593.52
    MIBK 1089.32
    2-propoxyethanol 1768.64
    tert-butanol 2825.86
    MTBE 2866.9
    2-butoxyethanol 1014.51
    propionic acid 773.67
    o-xylene 562.53
    formic acid 173.84
    diethyl ether 2977.32
    m-xylene 648.11
    p-xylene 788.32
    chlorobenzene 1086.87
    dimethyl carbonate 194.01
    n-octane 97.6
    formamide 256.36
    cyclopentanone 1721.69
    2-pentanone 1823.27
    anisole 877.73
    cyclopentyl methyl ether 1826.53
    gamma-butyrolactone 1441.93
    1-methoxy-2-propanol 1519.39
    pyridine 2156.18
    3-pentanone 976.47
    furfural 1187.59
    n-dodecane 60.59
    diethylene glycol 670.43
    diisopropyl ether 805.12
    tert-amyl alcohol 2271.72
    acetylacetone 1299.94
    n-hexadecane 72.19
    acetophenone 733.22
    methyl propionate 882.63
    isopentyl acetate 1745.0
    trichloroethylene 3019.87
    n-nonanol 606.86
    cyclohexanol 2146.44
    benzyl alcohol 757.3
    2-ethylhexanol 1034.05
    isooctanol 572.2
    dipropyl ether 1301.73
    1,2-dichlorobenzene 865.17
    ethyl lactate 391.91
    propylene carbonate 977.96
    n-methylformamide 521.59
    2-pentanol 1756.52
    n-pentane 386.74
    1-propoxy-2-propanol 1497.87
    1-methoxy-2-propyl acetate 1207.36
    2-(2-methoxypropoxy) propanol 865.26
    mesitylene 415.27
    ε-caprolactone 2030.42
    p-cymene 372.35
    epichlorohydrin 2288.52
    1,1,1-trichloroethane 2103.96
    2-aminoethanol 439.11
    morpholine-4-carbaldehyde 1362.94
    sulfolane 1248.03
    2,2,4-trimethylpentane 178.21
    2-methyltetrahydrofuran 3393.56
    n-hexyl acetate 1438.47
    isooctane 142.02
    2-(2-butoxyethoxy)ethanol 1311.92
    sec-butyl acetate 1105.56
    tert-butyl acetate 1334.75
    decalin 292.54
    glycerin 298.25
    diglyme 2201.02
    acrylic acid 417.09
    isopropyl myristate 471.45
    n-butyric acid 2096.08
    acetyl acetate 914.81
    di(2-ethylhexyl) phthalate 389.18
    ethyl propionate 1010.4
    nitromethane 1199.89
    1,2-diethoxyethane 2010.74
    benzonitrile 1025.94
    trioctyl phosphate 282.91
    1-bromopropane 1779.3
    gamma-valerolactone 2250.43
    n-decanol 408.8
    triethyl phosphate 360.27
    4-methyl-2-pentanol 867.54
    propionitrile 1174.36
    vinylene carbonate 777.68
    1,1,2-trichlorotrifluoroethane 1103.6
    DMS 585.05
    cumene 400.46
    2-octanol 555.54
    2-hexanone 1468.88
    octyl acetate 574.85
    limonene 672.28
    1,2-dimethoxyethane 2461.58
    ethyl orthosilicate 404.94
    tributyl phosphate 375.28
    diacetone alcohol 1119.33
    N,N-dimethylaniline 558.96
    acrylonitrile 849.23
    aniline 1025.32
    1,3-propanediol 993.19
    bromobenzene 1197.95
    dibromomethane 2372.27
    1,1,2,2-tetrachloroethane 2762.52
    2-methyl-cyclohexyl acetate 805.62
    tetrabutyl urea 436.95
    diisobutyl methanol 548.91
    2-phenylethanol 852.77
    styrene 762.05
    dioctyl adipate 627.54
    dimethyl sulfate 238.41
    ethyl butyrate 1180.21
    methyl lactate 303.64
    butyl lactate 660.96
    diethyl carbonate 606.69
    propanediol butyl ether 830.95
    triethyl orthoformate 717.01
    p-tert-butyltoluene 344.37
    methyl 4-tert-butylbenzoate 633.18
    morpholine 4485.4
    tert-butylamine 1935.79
    n-dodecanol 297.01
    dimethoxymethane 1038.65
    ethylene carbonate 776.7
    cyrene 569.85
    2-ethoxyethyl acetate 1171.37
    2-ethylhexyl acetate 1280.39
    1,2,4-trichlorobenzene 978.24
    4-methylpyridine 2287.02
    dibutyl ether 1208.49
    2,6-dimethyl-4-heptanol 548.91
    DEF 1364.69
    dimethyl isosorbide 1184.87
    tetrachloroethylene 1699.37
    eugenol 631.55
    triacetin 871.7
    span 80 900.69
    1,4-butanediol 377.87
    1,1-dichloroethane 2369.04
    2-methyl-1-pentanol 1509.1
    methyl formate 308.96
    2-methyl-1-butanol 1789.78
    n-decane 125.48
    butyronitrile 1965.19
    3,7-dimethyl-1-octanol 729.96
    1-chlorooctane 502.73
    1-chlorotetradecane 175.75
    n-nonane 131.0
    undecane 83.37
    tert-butylcyclohexane 260.58
    cyclooctane 228.76
    cyclopentanol 1451.28
    tetrahydropyran 5184.06
    tert-amyl methyl ether 1578.78
    2,5,8-trioxanonane 1310.31
    1-hexene 1708.26
    2-isopropoxyethanol 1064.54
    2,2,2-trifluoroethanol 183.31
    methyl butyrate 1515.9

    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 0.15%
Turmeric 4 8024-37-1 Curcuma longa L. (C. domestica Val.), fam. Zingiberaceae 2.94%
Geranium (India) 14a 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 0.2%
Geranium (India) 15a cv. Kunti 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv. Kunti, fam. Geraniaceae 0.3%
Geranium (India) 15b cv. Kunti variant 8000-46-2 Pelargonium graveolens L'Herit. ex Aiton, cv.Kunti variant, fam. Geraniace 0.1%