Propyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    141-06-0

    Molecular formula
    C8H16O2

    SMILES
    CCCCC(=O)OCCC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 97.38%
    Apple 70.72%
    Pineapple 69.92%
    Sweet 58.92%
    Ethereal 55.43%
    Banana 51.51%
    Winey 49.69%
    Tropical 42.84%
    Green 41.28%
    Ripe 40.52%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -70.7 °C

    Boiling point

    • 167.00 to 168.00 °C. @ 760.00 mm Hg

    Flash point est.
    51.22 ˚C

  • Synonyms

    • Propyl valerate
    • Propyl pentanoate
    • n-Propyl n-valerate
    • 141-06-0
    • Pentanoic acid, propyl ester
    • Valeric acid, propyl ester
    • n-propyl pentanoate
    • UNII-28688DWX24
    • EINECS 205-452-4
    • NSC 57638
    • NSC-57638
    • 28688DWX24
    • AI3-06062
    • DTXSID90161513
    • Valeric acid, propyl ester (8CI)
    • Pentanoic acid, propyl ester (9CI)
    • n-PROPYL VALERATE
    • Propylvalerat
    • pentanoic acid propyl ester
    • SCHEMBL126106
    • DTXCID6084004
    • CHEBI:89769
    • NSC57638
    • LMFA07011005
    • AKOS008948341
    • DB-256009
    • NS00013168
    • Q3374902
    • 205-452-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4618.25
    methanol 5984.06
    isopropanol 4159.58
    water 2.64
    ethyl acetate 1759.2
    n-propanol 3353.18
    acetone 3214.77
    n-butanol 3084.66
    acetonitrile 2558.81
    DMF 4033.57
    toluene 1029.52
    isobutanol 2652.88
    1,4-dioxane 3169.43
    methyl acetate 1570.31
    THF 3323.25
    2-butanone 2190.6
    n-pentanol 2314.87
    sec-butanol 3319.67
    n-hexane 865.91
    ethylene glycol 698.49
    NMP 2447.67
    cyclohexane 1022.4
    DMSO 3039.47
    n-butyl acetate 2282.75
    n-octanol 1359.35
    chloroform 6717.55
    n-propyl acetate 1308.17
    acetic acid 3767.68
    dichloromethane 5230.5
    cyclohexanone 3350.72
    propylene glycol 1086.31
    isopropyl acetate 1135.07
    DMAc 2331.34
    2-ethoxyethanol 1883.65
    isopentanol 2639.19
    n-heptane 434.34
    ethyl formate 1634.93
    1,2-dichloroethane 2952.6
    n-hexanol 2674.83
    2-methoxyethanol 3108.97
    isobutyl acetate 907.29
    tetrachloromethane 1081.83
    n-pentyl acetate 1292.87
    transcutol 4014.87
    n-heptanol 1128.48
    ethylbenzene 777.38
    MIBK 1071.93
    2-propoxyethanol 2447.41
    tert-butanol 4076.26
    MTBE 2474.95
    2-butoxyethanol 1488.6
    propionic acid 2244.68
    o-xylene 653.29
    formic acid 979.13
    diethyl ether 2022.94
    m-xylene 642.67
    p-xylene 1085.18
    chlorobenzene 1848.33
    dimethyl carbonate 443.83
    n-octane 198.33
    formamide 992.96
    cyclopentanone 2901.5
    2-pentanone 1785.85
    anisole 1213.75
    cyclopentyl methyl ether 1618.4
    gamma-butyrolactone 2762.7
    1-methoxy-2-propanol 2219.03
    pyridine 3428.66
    3-pentanone 1096.98
    furfural 2760.1
    n-dodecane 154.65
    diethylene glycol 1477.18
    diisopropyl ether 568.58
    tert-amyl alcohol 3311.67
    acetylacetone 1477.12
    n-hexadecane 171.38
    acetophenone 1127.64
    methyl propionate 1170.34
    isopentyl acetate 1959.2
    trichloroethylene 5445.37
    n-nonanol 1076.13
    cyclohexanol 2709.96
    benzyl alcohol 1255.82
    2-ethylhexanol 1541.35
    isooctanol 908.57
    dipropyl ether 1245.61
    1,2-dichlorobenzene 1462.44
    ethyl lactate 595.63
    propylene carbonate 1743.91
    n-methylformamide 2037.41
    2-pentanol 2194.18
    n-pentane 582.31
    1-propoxy-2-propanol 1949.98
    1-methoxy-2-propyl acetate 1188.51
    2-(2-methoxypropoxy) propanol 1107.82
    mesitylene 440.78
    ε-caprolactone 2585.72
    p-cymene 517.86
    epichlorohydrin 2977.14
    1,1,1-trichloroethane 2970.27
    2-aminoethanol 1555.73
    morpholine-4-carbaldehyde 2240.56
    sulfolane 2840.89
    2,2,4-trimethylpentane 257.49
    2-methyltetrahydrofuran 2992.0
    n-hexyl acetate 1834.49
    isooctane 192.48
    2-(2-butoxyethoxy)ethanol 1525.41
    sec-butyl acetate 885.1
    tert-butyl acetate 1125.0
    decalin 385.68
    glycerin 1111.65
    diglyme 2653.95
    acrylic acid 1855.17
    isopropyl myristate 644.51
    n-butyric acid 3409.75
    acetyl acetate 1042.76
    di(2-ethylhexyl) phthalate 575.8
    ethyl propionate 974.74
    nitromethane 3254.22
    1,2-diethoxyethane 1737.31
    benzonitrile 2205.96
    trioctyl phosphate 458.24
    1-bromopropane 2357.72
    gamma-valerolactone 3234.27
    n-decanol 729.99
    triethyl phosphate 505.05
    4-methyl-2-pentanol 1098.96
    propionitrile 2377.25
    vinylene carbonate 1731.88
    1,1,2-trichlorotrifluoroethane 2330.01
    DMS 838.86
    cumene 536.12
    2-octanol 919.14
    2-hexanone 1691.08
    octyl acetate 828.86
    limonene 857.42
    1,2-dimethoxyethane 3223.33
    ethyl orthosilicate 503.06
    tributyl phosphate 577.17
    diacetone alcohol 1264.63
    N,N-dimethylaniline 872.71
    acrylonitrile 2598.32
    aniline 1454.43
    1,3-propanediol 2146.53
    bromobenzene 1979.24
    dibromomethane 3840.81
    1,1,2,2-tetrachloroethane 4561.25
    2-methyl-cyclohexyl acetate 900.95
    tetrabutyl urea 726.16
    diisobutyl methanol 761.31
    2-phenylethanol 1241.57
    styrene 1126.22
    dioctyl adipate 867.59
    dimethyl sulfate 626.9
    ethyl butyrate 1220.88
    methyl lactate 684.94
    butyl lactate 974.82
    diethyl carbonate 813.61
    propanediol butyl ether 1485.58
    triethyl orthoformate 813.65
    p-tert-butyltoluene 478.73
    methyl 4-tert-butylbenzoate 943.7
    morpholine 4038.38
    tert-butylamine 2922.31
    n-dodecanol 545.31
    dimethoxymethane 1432.03
    ethylene carbonate 1451.38
    cyrene 746.6
    2-ethoxyethyl acetate 1168.93
    2-ethylhexyl acetate 1435.33
    1,2,4-trichlorobenzene 1497.68
    4-methylpyridine 3270.75
    dibutyl ether 1450.05
    2,6-dimethyl-4-heptanol 761.31
    DEF 2062.04
    dimethyl isosorbide 1329.13
    tetrachloroethylene 3033.59
    eugenol 1025.86
    triacetin 1060.85
    span 80 1231.57
    1,4-butanediol 1044.05
    1,1-dichloroethane 3676.06
    2-methyl-1-pentanol 2006.7
    methyl formate 1341.97
    2-methyl-1-butanol 2386.37
    n-decane 272.37
    butyronitrile 3049.09
    3,7-dimethyl-1-octanol 1211.16
    1-chlorooctane 865.48
    1-chlorotetradecane 326.26
    n-nonane 292.21
    undecane 195.95
    tert-butylcyclohexane 361.36
    cyclooctane 248.64
    cyclopentanol 2659.23
    tetrahydropyran 3845.3
    tert-amyl methyl ether 1560.99
    2,5,8-trioxanonane 1666.81
    1-hexene 2129.01
    2-isopropoxyethanol 1324.7
    2,2,2-trifluoroethanol 745.69
    methyl butyrate 1711.99

    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
Semenovia tragioides (Iran) Semenovia tragioides (Boiss.) Manden., fam. Apiaceae (Umbelliferae) 0.5%