Pentyl 4-propan-2-ylbenzoate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H22O2

    SMILES
    CCCCCOC(=O)C1=CC=C(C=C1)C(C)C

  • Odor profile

    Herbal 74.93%
    Balsamic 66.98%
    Fruity 65.48%
    Sweet 59.18%
    Floral 57.55%
    Green 52.89%
    Woody 44.82%
    Spicy 41.27%
    Fresh 35.15%
    Oily 27.03%

    Scent© AI

  • Properties

    XLogP3-AA
    5.3

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point est.
    139.33 ˚C

  • Synonyms

    • 6955-07-3
    • pentyl 4-propan-2-ylbenzoate
    • NSC20067
    • DTXSID00281094
    • NSC-20067

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3554.38
    methanol 3937.81
    isopropanol 1917.97
    water 0.2
    ethyl acetate 8838.7
    n-propanol 3569.16
    acetone 8563.85
    n-butanol 3151.14
    acetonitrile 6220.97
    DMF 14590.79
    toluene 4782.35
    isobutanol 2531.03
    1,4-dioxane 4884.76
    methyl acetate 5642.4
    THF 6682.73
    2-butanone 8327.8
    n-pentanol 1901.26
    sec-butanol 2509.19
    n-hexane 490.18
    ethylene glycol 339.48
    NMP 11395.22
    cyclohexane 622.17
    DMSO 10430.84
    n-butyl acetate 4437.06
    n-octanol 425.33
    chloroform 16465.85
    n-propyl acetate 3564.59
    acetic acid 2555.94
    dichloromethane 19933.33
    cyclohexanone 9866.73
    propylene glycol 567.39
    isopropyl acetate 4244.67
    DMAc 8736.37
    2-ethoxyethanol 2655.43
    isopentanol 2658.74
    n-heptane 79.0
    ethyl formate 2760.96
    1,2-dichloroethane 18745.2
    n-hexanol 1710.99
    2-methoxyethanol 5288.14
    isobutyl acetate 1823.07
    tetrachloromethane 1501.49
    n-pentyl acetate 1832.1
    transcutol 12287.75
    n-heptanol 500.35
    ethylbenzene 1682.9
    MIBK 3174.64
    2-propoxyethanol 3449.43
    tert-butanol 2282.84
    MTBE 5191.85
    2-butoxyethanol 1382.08
    propionic acid 2679.92
    o-xylene 2084.06
    formic acid 855.99
    diethyl ether 6866.05
    m-xylene 2209.18
    p-xylene 1943.59
    chlorobenzene 7764.17
    dimethyl carbonate 2497.74
    n-octane 28.62
    formamide 2985.74
    cyclopentanone 9295.7
    2-pentanone 7853.51
    anisole 4105.02
    cyclopentyl methyl ether 5683.96
    gamma-butyrolactone 8524.58
    1-methoxy-2-propanol 3989.26
    pyridine 9987.14
    3-pentanone 6413.0
    furfural 7045.58
    n-dodecane 17.85
    diethylene glycol 1696.59
    diisopropyl ether 1542.52
    tert-amyl alcohol 2710.18
    acetylacetone 6732.27
    n-hexadecane 22.84
    acetophenone 3418.28
    methyl propionate 7127.66
    isopentyl acetate 3472.46
    trichloroethylene 29159.68
    n-nonanol 395.09
    cyclohexanol 3002.94
    benzyl alcohol 2424.67
    2-ethylhexanol 955.15
    isooctanol 458.28
    dipropyl ether 1496.08
    1,2-dichlorobenzene 6405.41
    ethyl lactate 1060.93
    propylene carbonate 4452.08
    n-methylformamide 6932.11
    2-pentanol 2178.36
    n-pentane 338.4
    1-propoxy-2-propanol 2307.69
    1-methoxy-2-propyl acetate 4039.04
    2-(2-methoxypropoxy) propanol 1416.92
    mesitylene 1105.76
    ε-caprolactone 7411.28
    p-cymene 513.34
    epichlorohydrin 14102.08
    1,1,1-trichloroethane 10976.27
    2-aminoethanol 1274.1
    morpholine-4-carbaldehyde 7681.54
    sulfolane 10897.59
    2,2,4-trimethylpentane 193.43
    2-methyltetrahydrofuran 6959.12
    n-hexyl acetate 2345.12
    isooctane 135.79
    2-(2-butoxyethoxy)ethanol 2352.05
    sec-butyl acetate 2623.13
    tert-butyl acetate 4279.41
    decalin 320.25
    glycerin 760.14
    diglyme 4686.54
    acrylic acid 2333.21
    isopropyl myristate 611.02
    n-butyric acid 4299.31
    acetyl acetate 3594.18
    di(2-ethylhexyl) phthalate 551.44
    ethyl propionate 3597.72
    nitromethane 8980.56
    1,2-diethoxyethane 4718.21
    benzonitrile 4140.06
    trioctyl phosphate 352.97
    1-bromopropane 8118.95
    gamma-valerolactone 10011.37
    n-decanol 267.83
    triethyl phosphate 782.36
    4-methyl-2-pentanol 987.08
    propionitrile 5096.79
    vinylene carbonate 3949.63
    1,1,2-trichlorotrifluoroethane 6430.33
    DMS 2777.38
    cumene 813.91
    2-octanol 356.4
    2-hexanone 3813.22
    octyl acetate 788.71
    limonene 938.02
    1,2-dimethoxyethane 4653.2
    ethyl orthosilicate 769.7
    tributyl phosphate 629.6
    diacetone alcohol 3418.51
    N,N-dimethylaniline 2127.77
    acrylonitrile 6872.34
    aniline 5276.81
    1,3-propanediol 1862.65
    bromobenzene 9207.56
    dibromomethane 12479.8
    1,1,2,2-tetrachloroethane 22062.35
    2-methyl-cyclohexyl acetate 1408.84
    tetrabutyl urea 797.97
    diisobutyl methanol 470.52
    2-phenylethanol 1927.28
    styrene 2783.36
    dioctyl adipate 933.42
    dimethyl sulfate 3910.78
    ethyl butyrate 2446.41
    methyl lactate 1706.92
    butyl lactate 1274.53
    diethyl carbonate 1422.37
    propanediol butyl ether 1245.15
    triethyl orthoformate 1274.74
    p-tert-butyltoluene 471.12
    methyl 4-tert-butylbenzoate 1366.35
    morpholine 8575.4
    tert-butylamine 1622.29
    n-dodecanol 188.47
    dimethoxymethane 7137.22
    ethylene carbonate 3342.09
    cyrene 1320.64
    2-ethoxyethyl acetate 3358.29
    2-ethylhexyl acetate 2781.19
    1,2,4-trichlorobenzene 6930.74
    4-methylpyridine 11616.22
    dibutyl ether 1181.18
    2,6-dimethyl-4-heptanol 470.52
    DEF 11594.44
    dimethyl isosorbide 2597.44
    tetrachloroethylene 11152.84
    eugenol 1350.48
    triacetin 1754.78
    span 80 1073.91
    1,4-butanediol 674.55
    1,1-dichloroethane 14038.63
    2-methyl-1-pentanol 2053.49
    methyl formate 3211.42
    2-methyl-1-butanol 3206.81
    n-decane 35.16
    butyronitrile 4731.64
    3,7-dimethyl-1-octanol 655.49
    1-chlorooctane 448.21
    1-chlorotetradecane 127.15
    n-nonane 33.87
    undecane 23.58
    tert-butylcyclohexane 251.73
    cyclooctane 158.17
    cyclopentanol 2445.61
    tetrahydropyran 7161.94
    tert-amyl methyl ether 3907.85
    2,5,8-trioxanonane 2463.58
    1-hexene 2205.71
    2-isopropoxyethanol 1931.25
    2,2,2-trifluoroethanol 909.7
    methyl butyrate 4648.1

    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
Psiadia viscosa Psiadia viscosa (Lam.) A.J. Scott, fam. Asteraceae (Compositae) 25.86%