n-Propyl pivalate

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  • Identifiers

    CAS number
    5129-35-1

    Molecular formula
    C8H16O2

    SMILES
    CCCOC(=O)C(C)(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 93.51%
    Apple 50.3%
    Ethereal 48.69%
    Sweet 48.55%
    Herbal 39.93%
    Fresh 39.2%
    Tropical 36.94%
    Banana 32.46%
    Rummy 31.65%
    Pineapple 30.26%

     

    Flavor
    Fruity 73.71%
    Sweet 68.16%
    Green 55.33%
    Apple 43.41%
    Tropical 39.46%
    Bitter 39.29%
    Pineapple 36.22%
    Banana 36.03%
    Fruit 31.01%
    Berry 30.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.18 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    141°C

    Flash point

    • 37.75 ˚C est.

  • Synonyms

    • propyl 2,2-dimethylpropanoate
    • Propyl pivalate
    • 5129-35-1
    • Pivalic acid propyl ester
    • n-Propyl pivalate
    • Propanoic acid, 2,2-dimethyl-, propyl ester
    • DTXSID20199283
    • propyl2,2-dimethylpropanoate
    • SCHEMBL204763
    • DTXCID50121774
    • QMKUYPGVVVLYSR-UHFFFAOYSA-N
    • AKOS008132166
    • Propyl 2,2-dimethylpropanoate, AldrichCPR
    • EN300-65485
    • G41202
    • 834-927-4

  • Applications

    n-Propyl pivalate (CAS 5129-35-1) is the propyl ester of pivalic acid, commonly used as a solvent and processing aid in a range of industries; in perfumery and cosmetics it serves as a solvent for fragrance ingredients and may function as a fragrance fixative; in household and cleaning products it is employed as a solvent for aroma components and active ingredients; in coatings, inks, and plastics processing it acts as a solvent for resins and may serve as a plasticizer or processing aid for certain polymer systems; in industrial manufacturing it is used as a general solvent and formulation aid for various specialty formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1206.74
    methanol 1360.65
    isopropanol 1160.86
    water 6.81
    ethyl acetate 781.81
    n-propanol 1079.89
    acetone 986.52
    n-butanol 1218.26
    acetonitrile 987.62
    DMF 1136.63
    toluene 738.11
    isobutanol 986.04
    1,4-dioxane 1254.85
    methyl acetate 733.9
    THF 1475.64
    2-butanone 1030.08
    n-pentanol 994.37
    sec-butanol 1360.92
    n-hexane 563.25
    ethylene glycol 232.54
    NMP 1112.45
    cyclohexane 648.62
    DMSO 651.53
    n-butyl acetate 1174.31
    n-octanol 1018.1
    chloroform 3830.44
    n-propyl acetate 734.41
    acetic acid 1008.73
    dichloromethane 2531.63
    cyclohexanone 1508.36
    propylene glycol 402.42
    isopropyl acetate 598.51
    DMAc 1100.31
    2-ethoxyethanol 834.74
    isopentanol 1108.98
    n-heptane 480.72
    ethyl formate 726.07
    1,2-dichloroethane 1180.78
    n-hexanol 1352.28
    2-methoxyethanol 1102.52
    isobutyl acetate 537.94
    tetrachloromethane 861.95
    n-pentyl acetate 788.68
    transcutol 1496.28
    n-heptanol 872.6
    ethylbenzene 717.29
    MIBK 627.61
    2-propoxyethanol 1088.84
    tert-butanol 1389.25
    MTBE 1203.26
    2-butoxyethanol 880.28
    propionic acid 775.0
    o-xylene 627.04
    formic acid 376.85
    diethyl ether 911.76
    m-xylene 588.76
    p-xylene 968.86
    chlorobenzene 875.87
    dimethyl carbonate 267.87
    n-octane 242.24
    formamide 410.82
    cyclopentanone 1300.62
    2-pentanone 896.64
    anisole 892.34
    cyclopentyl methyl ether 926.65
    gamma-butyrolactone 1254.03
    1-methoxy-2-propanol 899.72
    pyridine 1133.17
    3-pentanone 663.35
    furfural 1202.98
    n-dodecane 190.11
    diethylene glycol 615.34
    diisopropyl ether 413.79
    tert-amyl alcohol 1476.85
    acetylacetone 724.3
    n-hexadecane 203.1
    acetophenone 858.19
    methyl propionate 597.47
    isopentyl acetate 1116.33
    trichloroethylene 2371.85
    n-nonanol 822.17
    cyclohexanol 1210.09
    benzyl alcohol 736.89
    2-ethylhexanol 1021.57
    isooctanol 694.88
    dipropyl ether 814.97
    1,2-dichlorobenzene 863.45
    ethyl lactate 392.75
    propylene carbonate 1005.47
    n-methylformamide 643.72
    2-pentanol 1055.14
    n-pentane 432.2
    1-propoxy-2-propanol 960.14
    1-methoxy-2-propyl acetate 680.11
    2-(2-methoxypropoxy) propanol 709.44
    mesitylene 458.13
    ε-caprolactone 1233.57
    p-cymene 598.6
    epichlorohydrin 1337.55
    1,1,1-trichloroethane 1764.26
    2-aminoethanol 504.02
    morpholine-4-carbaldehyde 1154.79
    sulfolane 1153.0
    2,2,4-trimethylpentane 288.48
    2-methyltetrahydrofuran 1498.09
    n-hexyl acetate 1209.47
    isooctane 212.48
    2-(2-butoxyethoxy)ethanol 868.5
    sec-butyl acetate 575.78
    tert-butyl acetate 674.44
    decalin 377.63
    glycerin 429.3
    diglyme 1351.42
    acrylic acid 662.18
    isopropyl myristate 500.11
    n-butyric acid 1159.8
    acetyl acetate 506.3
    di(2-ethylhexyl) phthalate 441.81
    ethyl propionate 621.37
    nitromethane 1098.69
    1,2-diethoxyethane 775.11
    benzonitrile 1058.86
    trioctyl phosphate 396.85
    1-bromopropane 1194.2
    gamma-valerolactone 1454.44
    n-decanol 595.13
    triethyl phosphate 408.34
    4-methyl-2-pentanol 621.97
    propionitrile 967.07
    vinylene carbonate 987.02
    1,1,2-trichlorotrifluoroethane 1103.06
    DMS 496.74
    cumene 565.91
    2-octanol 762.64
    2-hexanone 905.14
    octyl acetate 666.65
    limonene 815.91
    1,2-dimethoxyethane 1433.83
    ethyl orthosilicate 420.42
    tributyl phosphate 423.26
    diacetone alcohol 714.89
    N,N-dimethylaniline 752.07
    acrylonitrile 976.28
    aniline 658.12
    1,3-propanediol 744.33
    bromobenzene 977.0
    dibromomethane 1984.58
    1,1,2,2-tetrachloroethane 2221.97
    2-methyl-cyclohexyl acetate 757.42
    tetrabutyl urea 522.28
    diisobutyl methanol 545.42
    2-phenylethanol 803.04
    styrene 733.04
    dioctyl adipate 617.95
    dimethyl sulfate 353.42
    ethyl butyrate 825.55
    methyl lactate 360.08
    butyl lactate 643.14
    diethyl carbonate 582.79
    propanediol butyl ether 849.66
    triethyl orthoformate 578.11
    p-tert-butyltoluene 597.46
    methyl 4-tert-butylbenzoate 772.31
    morpholine 1428.16
    tert-butylamine 1207.53
    n-dodecanol 464.27
    dimethoxymethane 679.38
    ethylene carbonate 781.55
    cyrene 586.71
    2-ethoxyethyl acetate 637.41
    2-ethylhexyl acetate 939.3
    1,2,4-trichlorobenzene 974.97
    4-methylpyridine 1361.77
    dibutyl ether 872.26
    2,6-dimethyl-4-heptanol 545.42
    DEF 929.98
    dimethyl isosorbide 1007.38
    tetrachloroethylene 1455.26
    eugenol 742.61
    triacetin 705.41
    span 80 802.38
    1,4-butanediol 421.17
    1,1-dichloroethane 1664.63
    2-methyl-1-pentanol 975.46
    methyl formate 536.2
    2-methyl-1-butanol 1122.87
    n-decane 301.49
    butyronitrile 1251.61
    3,7-dimethyl-1-octanol 870.29
    1-chlorooctane 730.0
    1-chlorotetradecane 324.9
    n-nonane 332.0
    undecane 227.03
    tert-butylcyclohexane 395.42
    cyclooctane 270.95
    cyclopentanol 1071.85
    tetrahydropyran 1499.1
    tert-amyl methyl ether 1025.52
    2,5,8-trioxanonane 923.43
    1-hexene 1048.92
    2-isopropoxyethanol 662.89
    2,2,2-trifluoroethanol 349.72
    methyl butyrate 935.23

    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