Benzyl valerate

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  • Identifiers

    CAS number
    10361-39-4

    Molecular formula
    C12H16O2

    SMILES
    CCCCC(=O)OCC1=CC=CC=C1

    Retention indicies (RI)

    • Carbowax: 1956.0

  • Odor profile

    Fruity 95.6%
    Floral 65.32%
    Sweet 63.93%
    Apple 54.26%
    Pineapple 51.72%
    Apricot 48.15%
    Balsamic 38.82%
    Rose 38.63%
    Tropical 38.44%
    Berry 37.86%

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  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point est.
    120.47 ˚C

  • Synonyms

    • Benzyl valerate
    • Benzyl pentanoate
    • 10361-39-4
    • Benzyl n-valerate
    • Pentanoic acid, phenylmethyl ester
    • Valeric acid, benzyl ester
    • Benzyanyl
    • Benzyl valerianate
    • Phenylmethyl valerate
    • Phenylmethyl pentanoate
    • UNII-0195831F8E
    • EINECS 233-789-7
    • AI3-02946
    • 0195831F8E
    • DTXSID6065052
    • benzylvalerianat
    • Benzylpentanoate
    • Benzyl valeric acid
    • MFCD00053798
    • pentanoic acid benzyl ester
    • SCHEMBL133636
    • DTXCID5032818
    • AS-78298
    • CS-0160239
    • NS00012013
    • D81803
    • Q27231417
    • 233-789-7

  • Applications

    Benzyl valerate (CAS 10361-39-4, also known as benzyl pentanoate) is a fragrant ester with sweet fruity, slightly floral, balsamic nuances used as a fragrance ingredient in fine fragrances, body mists, shampoos, shower gels, lotions, soaps, scented candles, and home-care products; with medium volatility and a suitable boiling point, it functions as a mild fixative and carrier that rounds and extends fruity–floral accords, softens sharp top notes, and improves scent longevity in alcohol- and oil-based systems. Owing to good solubility in organic media and broad oil compatibility, benzyl valerate is also employed as a perfume excipient in microencapsulation/encapsulated delivery to enhance fragrance retention in detergents and fabric conditioners, and as a reference/internal standard for GC/LC method development when profiling aromatic esters. In R&D it serves as a feedstock and synthesis intermediate for transesterification or benzyl deprotection workflows, and as a model substrate for ester hydrolysis kinetics. Applications should be validated for safety, formulation stability, and compliance with applicable regulatory guidance and use-level limits (e.g., IFRA) in each market.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1337.21
    methanol 1813.39
    isopropanol 639.04
    water 0.23
    ethyl acetate 1209.97
    n-propanol 806.0
    acetone 1075.35
    n-butanol 744.28
    acetonitrile 1360.96
    DMF 1290.06
    toluene 420.43
    isobutanol 515.36
    1,4-dioxane 1388.86
    methyl acetate 908.86
    THF 922.3
    2-butanone 944.19
    n-pentanol 534.95
    sec-butanol 558.75
    n-hexane 56.77
    ethylene glycol 125.93
    NMP 507.52
    cyclohexane 86.22
    DMSO 1225.17
    n-butyl acetate 866.88
    n-octanol 190.11
    chloroform 2568.58
    n-propyl acetate 713.46
    acetic acid 836.23
    dichloromethane 2643.76
    cyclohexanone 1015.24
    propylene glycol 207.45
    isopropyl acetate 574.2
    DMAc 1115.25
    2-ethoxyethanol 749.53
    isopentanol 611.33
    n-heptane 26.89
    ethyl formate 599.01
    1,2-dichloroethane 1797.23
    n-hexanol 533.08
    2-methoxyethanol 1052.44
    isobutyl acetate 408.55
    tetrachloromethane 145.18
    n-pentyl acetate 324.64
    transcutol 2692.86
    n-heptanol 179.49
    ethylbenzene 291.51
    MIBK 407.58
    2-propoxyethanol 781.2
    tert-butanol 643.8
    MTBE 614.56
    2-butoxyethanol 372.63
    propionic acid 541.55
    o-xylene 231.68
    formic acid 221.67
    diethyl ether 964.23
    m-xylene 235.65
    p-xylene 324.44
    chlorobenzene 699.35
    dimethyl carbonate 248.44
    n-octane 15.16
    formamide 458.6
    cyclopentanone 824.55
    2-pentanone 726.81
    anisole 646.72
    cyclopentyl methyl ether 427.29
    gamma-butyrolactone 853.67
    1-methoxy-2-propanol 697.94
    pyridine 1420.87
    3-pentanone 528.99
    furfural 926.17
    n-dodecane 16.68
    diethylene glycol 487.74
    diisopropyl ether 170.41
    tert-amyl alcohol 557.44
    acetylacetone 744.85
    n-hexadecane 19.16
    acetophenone 541.23
    methyl propionate 640.04
    isopentyl acetate 695.64
    trichloroethylene 2854.49
    n-nonanol 169.08
    cyclohexanol 433.33
    benzyl alcohol 454.11
    2-ethylhexanol 298.59
    isooctanol 156.17
    dipropyl ether 322.04
    1,2-dichlorobenzene 617.89
    ethyl lactate 235.69
    propylene carbonate 581.81
    n-methylformamide 607.12
    2-pentanol 414.47
    n-pentane 35.22
    1-propoxy-2-propanol 518.82
    1-methoxy-2-propyl acetate 574.89
    2-(2-methoxypropoxy) propanol 425.56
    mesitylene 136.72
    ε-caprolactone 815.27
    p-cymene 127.16
    epichlorohydrin 1446.78
    1,1,1-trichloroethane 1041.3
    2-aminoethanol 364.55
    morpholine-4-carbaldehyde 763.17
    sulfolane 758.35
    2,2,4-trimethylpentane 26.12
    2-methyltetrahydrofuran 694.38
    n-hexyl acetate 447.49
    isooctane 22.19
    2-(2-butoxyethoxy)ethanol 610.65
    sec-butyl acetate 460.4
    tert-butyl acetate 478.77
    decalin 56.68
    glycerin 227.83
    diglyme 1208.44
    acrylic acid 428.55
    isopropyl myristate 167.88
    n-butyric acid 929.96
    acetyl acetate 606.01
    di(2-ethylhexyl) phthalate 158.69
    ethyl propionate 550.15
    nitromethane 1385.78
    1,2-diethoxyethane 901.4
    benzonitrile 665.88
    trioctyl phosphate 99.96
    1-bromopropane 882.46
    gamma-valerolactone 1068.2
    n-decanol 127.38
    triethyl phosphate 185.15
    4-methyl-2-pentanol 227.19
    propionitrile 875.17
    vinylene carbonate 612.83
    1,1,2-trichlorotrifluoroethane 742.27
    DMS 403.29
    cumene 166.87
    2-octanol 125.12
    2-hexanone 626.43
    octyl acetate 206.69
    limonene 182.58
    1,2-dimethoxyethane 1255.57
    ethyl orthosilicate 173.82
    tributyl phosphate 151.63
    diacetone alcohol 461.86
    N,N-dimethylaniline 327.57
    acrylonitrile 1029.43
    aniline 478.23
    1,3-propanediol 540.85
    bromobenzene 758.99
    dibromomethane 1639.82
    1,1,2,2-tetrachloroethane 2213.84
    2-methyl-cyclohexyl acetate 310.78
    tetrabutyl urea 196.24
    diisobutyl methanol 156.56
    2-phenylethanol 416.71
    styrene 452.07
    dioctyl adipate 256.44
    dimethyl sulfate 295.16
    ethyl butyrate 544.88
    methyl lactate 247.73
    butyl lactate 257.61
    diethyl carbonate 374.36
    propanediol butyl ether 333.32
    triethyl orthoformate 294.43
    p-tert-butyltoluene 114.32
    methyl 4-tert-butylbenzoate 304.84
    morpholine 1567.44
    tert-butylamine 383.14
    n-dodecanol 95.82
    dimethoxymethane 725.56
    ethylene carbonate 511.12
    cyrene 268.81
    2-ethoxyethyl acetate 520.76
    2-ethylhexyl acetate 488.68
    1,2,4-trichlorobenzene 626.34
    4-methylpyridine 1166.01
    dibutyl ether 326.58
    2,6-dimethyl-4-heptanol 156.56
    DEF 824.56
    dimethyl isosorbide 545.72
    tetrachloroethylene 1212.77
    eugenol 355.79
    triacetin 394.8
    span 80 316.08
    1,4-butanediol 226.26
    1,1-dichloroethane 1434.24
    2-methyl-1-pentanol 495.23
    methyl formate 411.74
    2-methyl-1-butanol 559.83
    n-decane 26.18
    butyronitrile 930.06
    3,7-dimethyl-1-octanol 228.28
    1-chlorooctane 150.92
    1-chlorotetradecane 58.02
    n-nonane 23.84
    undecane 20.29
    tert-butylcyclohexane 49.62
    cyclooctane 21.44
    cyclopentanol 320.43
    tetrahydropyran 1161.46
    tert-amyl methyl ether 390.01
    2,5,8-trioxanonane 791.32
    1-hexene 376.36
    2-isopropoxyethanol 495.72
    2,2,2-trifluoroethanol 170.49
    methyl butyrate 833.42

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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
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.04%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Pentaceras australe leaf Pentaceras australe (F. Muell.) Benth., fam. Rutaceae 0.4%