Pentyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2173-56-0

    Molecular formula
    C10H20O2

    SMILES
    CCCCCOC(=O)CCCC

    Retention indicies (RI)

    • Carbowax: 1401.0

  • Odor profile

    Fruity 97.08%
    Apple 72.22%
    Pineapple 61.91%
    Green 52.07%
    Winey 52.03%
    Sweet 51.68%
    Banana 49.91%
    Ethereal 44.83%
    Ripe 40.92%
    Tropical 40.86%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point est.
    80.42 ˚C

  • Synonyms

    • Pentyl valerate
    • Amyl valerate
    • 2173-56-0
    • Pentyl pentanoate
    • n-Pentyl valerate
    • Pentanoic acid, pentyl ester
    • Amyl valerianate
    • Valeric acid, pentyl ester
    • 1-Pentyl n-valerate
    • Valeric Acid Pentyl Ester
    • Pentanoic Acid Pentyl Ester
    • N-Amyl N-valerate
    • DTXSID8042218
    • EINECS 218-528-7
    • NSC 76414
    • NSC-76414
    • 694D4BU139
    • BRN 1754427
    • Pentyl ester of pentanoic acid
    • AI3-01269
    • DTXCID6022218
    • UNII-694D4BU139
    • 4-02-00-00872 (Beilstein Handbook Reference)
    • Amyl Pentanoate
    • MFCD00042904
    • Amylvalerianat
    • PENTYLVALERATE
    • Pentyl pentanoic acid
    • Pentanoicacid,pentyl ester
    • SCHEMBL329057
    • CHEMBL3187606
    • NSC76414
    • Tox21_302212
    • Pentyl valerate, >=97.0% (GC)
    • AKOS015903246
    • NCGC00255847-01
    • CAS-2173-56-0
    • DB-003757
    • NS00011979
    • P1929
    • Q3374901
    • 218-528-7

  • Applications

    Pentyl valerate (CAS 2173-56-0) is a fruity, pleasant ester widely used as a flavoring agent in foods and beverages (soft drinks, confectionery, ice cream, baked goods, dairy) for ripe apple–pear–pineapple nuances and for smoothing and lifting estery top notes, and in perfumery and home/personal care (fine fragrance, air care, shampoos, soaps, detergents) to impart juicy freshness and support green–fruity accords; it is also employed as a low-odor solvent/co-solvent for inks, coatings, and adhesives, as an intermediate in aroma-chemical synthesis and in esterification/transesterification studies, and as a flavor/aroma reference standard in analytical work, with use aligned to applicable safety and food–fragrance regulatory guidelines.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8603.08
    methanol 10575.52
    isopropanol 6861.17
    water 0.58
    ethyl acetate 4940.42
    n-propanol 6117.0
    acetone 9051.94
    n-butanol 5602.5
    acetonitrile 5547.48
    DMF 7457.47
    toluene 2226.31
    isobutanol 4805.05
    1,4-dioxane 6233.29
    methyl acetate 3457.55
    THF 7285.84
    2-butanone 5138.88
    n-pentanol 3810.92
    sec-butanol 5622.77
    n-hexane 1888.27
    ethylene glycol 693.36
    NMP 4253.47
    cyclohexane 2284.27
    DMSO 6655.71
    n-butyl acetate 5181.36
    n-octanol 1533.84
    chloroform 10213.94
    n-propyl acetate 3302.5
    acetic acid 5573.66
    dichloromethane 8743.33
    cyclohexanone 7932.27
    propylene glycol 1185.94
    isopropyl acetate 3031.63
    DMAc 3881.26
    2-ethoxyethanol 2902.04
    isopentanol 4956.02
    n-heptane 631.58
    ethyl formate 3113.2
    1,2-dichloroethane 6339.42
    n-hexanol 4158.83
    2-methoxyethanol 5056.61
    isobutyl acetate 1918.96
    tetrachloromethane 1714.34
    n-pentyl acetate 2383.72
    transcutol 8334.44
    n-heptanol 1415.37
    ethylbenzene 1345.7
    MIBK 2367.92
    2-propoxyethanol 4019.62
    tert-butanol 7038.43
    MTBE 5624.26
    2-butoxyethanol 2120.98
    propionic acid 3401.38
    o-xylene 1193.6
    formic acid 1258.06
    diethyl ether 5759.31
    m-xylene 1246.42
    p-xylene 1820.18
    chlorobenzene 3395.91
    dimethyl carbonate 747.84
    n-octane 243.25
    formamide 1631.59
    cyclopentanone 5870.07
    2-pentanone 4697.46
    anisole 2056.24
    cyclopentyl methyl ether 3834.9
    gamma-butyrolactone 5212.17
    1-methoxy-2-propanol 3617.29
    pyridine 6997.33
    3-pentanone 2648.67
    furfural 4467.68
    n-dodecane 149.71
    diethylene glycol 2090.31
    diisopropyl ether 1406.47
    tert-amyl alcohol 5394.01
    acetylacetone 3769.59
    n-hexadecane 178.43
    acetophenone 1887.12
    methyl propionate 2590.34
    isopentyl acetate 4072.25
    trichloroethylene 10376.28
    n-nonanol 1260.88
    cyclohexanol 5236.12
    benzyl alcohol 1845.9
    2-ethylhexanol 2397.33
    isooctanol 1199.13
    dipropyl ether 2585.79
    1,2-dichlorobenzene 2573.77
    ethyl lactate 925.95
    propylene carbonate 2914.52
    n-methylformamide 3439.95
    2-pentanol 4090.75
    n-pentane 1120.48
    1-propoxy-2-propanol 3191.66
    1-methoxy-2-propyl acetate 2398.0
    2-(2-methoxypropoxy) propanol 1550.34
    mesitylene 830.18
    ε-caprolactone 5600.13
    p-cymene 760.05
    epichlorohydrin 5793.76
    1,1,1-trichloroethane 5796.35
    2-aminoethanol 1903.03
    morpholine-4-carbaldehyde 4087.34
    sulfolane 5105.67
    2,2,4-trimethylpentane 350.93
    2-methyltetrahydrofuran 6234.12
    n-hexyl acetate 3013.69
    isooctane 281.47
    2-(2-butoxyethoxy)ethanol 2405.13
    sec-butyl acetate 2064.55
    tert-butyl acetate 2573.99
    decalin 655.67
    glycerin 1200.09
    diglyme 4319.14
    acrylic acid 2591.17
    isopropyl myristate 943.56
    n-butyric acid 6661.99
    acetyl acetate 2383.96
    di(2-ethylhexyl) phthalate 780.35
    ethyl propionate 2395.41
    nitromethane 6354.16
    1,2-diethoxyethane 3779.5
    benzonitrile 3442.45
    trioctyl phosphate 585.25
    1-bromopropane 4998.56
    gamma-valerolactone 6303.85
    n-decanol 838.86
    triethyl phosphate 786.48
    4-methyl-2-pentanol 1828.49
    propionitrile 4619.9
    vinylene carbonate 2795.31
    1,1,2-trichlorotrifluoroethane 3950.93
    DMS 1458.14
    cumene 828.81
    2-octanol 1159.38
    2-hexanone 3646.86
    octyl acetate 1147.54
    limonene 1402.66
    1,2-dimethoxyethane 5903.92
    ethyl orthosilicate 828.6
    tributyl phosphate 809.93
    diacetone alcohol 2379.26
    N,N-dimethylaniline 1334.1
    acrylonitrile 4624.15
    aniline 2701.73
    1,3-propanediol 3049.39
    bromobenzene 3703.91
    dibromomethane 6707.47
    1,1,2,2-tetrachloroethane 8468.0
    2-methyl-cyclohexyl acetate 1567.69
    tetrabutyl urea 1004.78
    diisobutyl methanol 1141.62
    2-phenylethanol 1916.0
    styrene 2013.15
    dioctyl adipate 1231.61
    dimethyl sulfate 1031.39
    ethyl butyrate 2474.96
    methyl lactate 1018.34
    butyl lactate 1557.51
    diethyl carbonate 1366.2
    propanediol butyl ether 1928.7
    triethyl orthoformate 1449.74
    p-tert-butyltoluene 707.87
    methyl 4-tert-butylbenzoate 1307.5
    morpholine 8510.45
    tert-butylamine 4959.25
    n-dodecanol 595.53
    dimethoxymethane 2913.19
    ethylene carbonate 2602.05
    cyrene 1045.17
    2-ethoxyethyl acetate 2217.66
    2-ethylhexyl acetate 2947.61
    1,2,4-trichlorobenzene 2653.88
    4-methylpyridine 6410.97
    dibutyl ether 2624.22
    2,6-dimethyl-4-heptanol 1141.62
    DEF 4693.32
    dimethyl isosorbide 2140.29
    tetrachloroethylene 5813.04
    eugenol 1371.55
    triacetin 1693.82
    span 80 1743.66
    1,4-butanediol 1236.45
    1,1-dichloroethane 7260.4
    2-methyl-1-pentanol 3201.87
    methyl formate 2186.84
    2-methyl-1-butanol 4327.13
    n-decane 305.25
    butyronitrile 6122.82
    3,7-dimethyl-1-octanol 1543.92
    1-chlorooctane 1167.24
    1-chlorotetradecane 375.71
    n-nonane 335.1
    undecane 201.08
    tert-butylcyclohexane 554.77
    cyclooctane 499.55
    cyclopentanol 4321.17
    tetrahydropyran 9076.54
    tert-amyl methyl ether 3213.27
    2,5,8-trioxanonane 2550.55
    1-hexene 4761.86
    2-isopropoxyethanol 2147.07
    2,2,2-trifluoroethanol 1096.27
    methyl butyrate 4076.36

    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
Mentha aquatica (Greece) Mentha aquatica (L.), fam. Lamiaceae (Labiatae) 0.05%
Mentha longifolia ssp. petiolata (Greece) 2 90063-99-3 Mentha longifolia (L.) ssp. petiolata (Chemotype II), fam. Lamiaceae 0.02%
Mentha spicata (Greece) Chemotype II Mentha spicata L. (Chemotype II), fam. Lamiaceae (Labiatae) 0.01%
Mentha x villoso-nervata (Greece) 2 Mentha x villoso-nervata Opiz (M.longifolia L. x M.spicata L.) (Chemot.II) 0.05%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Teucrium flavum (Greece) 1a flower Teucrium flavum L. ssp. hellenicum Rech. fil., fam. Lamiaceae (Labiatae) 0.7%