2-Pentyl-3-phenylprop-2-en-1-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    101-85-9

    Molecular formula
    C14H20O

    SMILES
    CCCCC/C(=C/C1=CC=CC=C1)/CO

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1657.0

  • Odor profile

    Fragrance
    Floral 86.02%
    Fruity 79.26%
    Sweet 72.76%
    Balsamic 57.93%
    Jasmin 54.66%
    Herbal 48.52%
    Spicy 46.88%
    Green 46.51%
    Rose 44.74%
    Waxy 42.23%

     

    Flavor
    Floral 52.65%
    Green 49.87%
    Herbal 41.42%
    Fresh 40.64%
    Waxy 39.59%
    Balsam 36.37%
    Spicy 31.09%
    Sweet 30.04%
    Jasmin 27.31%
    Woody 25.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.46 (weak base)

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 141.00 to 143.00 °C. @ 5.00 mm Hg

    Flash point

    • 147.18 ˚C est.

    Solubility expt.

    • insoluble in water
    • miscible (in ethanol)

  • Synonyms

    • 2-benzylideneheptan-1-ol
    • 101-85-9
    • alpha-Amylcinnamyl alcohol
    • 2-Benzylideneheptanol
    • (2Z)-2-benzylideneheptan-1-ol
    • alpha-Pentylcinnamyl alcohol
    • 943517-69-9
    • 36J0A47E6X
    • (2Z)-2-(Phenylmethylene)-1-heptanol
    • 2-Amyl-3-phenyl-2-propen-1-ol
    • 1-Heptanol, 2-(phenylmethylene)-
    • 2-Pentylcinnamic alcohol
    • 2-Pentyl-3-phenylprop-2-en-1-ol
    • alpha-Amylcinnamic alcohol
    • 1-Heptanol, 2-(phenylmethylene)-, (2Z)-
    • 2-(Phenylmethylene)-1-heptanol
    • (2E)-2-Pentyl-3-phenyl-2-propen-1-ol
    • a-amylcinnamyl alcohol
    • 2-Pentyl-3-phenyl-2-propen-1-ol
    • Amyl cinnamic alcohol
    • a-Pentylcinnamyl alcohol
    • UNII-36J0A47E6X
    • (Z)-alpha-amylcinnamyl alcohol
    • CHEMBL3182479
    • FEMA 2065
    • LIPHCKNQPJXUQF-KAMYIIQDSA-N
    • alpha-Amylcinnamyl alcohol, (Z)-
    • AKOS016010106
    • 2-(Phenylmethylene)-1-heptanol, 9CI
    • DS-3976
    • (2Z)-2-(phenylmethylidene)heptan-1-ol
    • .ALPHA.-AMYLCINNAMYL ALCOHOL, (Z)-
    • Q27256571

  • Applications

    2-Pentyl-3-phenylprop-2-en-1-ol (CAS 101-85-9) is primarily used as a fragrance ingredient and as a chemical intermediate in aroma chemistry. In perfumery it contributes to woody and green notes, and in cosmetics and personal care it is employed as a fragrance component. In household and cleaning products it acts as an odorant additive. In industrial manufacturing it is used as an intermediate for synthesizing other aroma compounds and functional fragrances. It may also be used as an odorant additive in coatings and inks to enhance scent profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7782.12
    methanol 5016.68
    isopropanol 5616.78
    water 0.05
    ethyl acetate 9440.11
    n-propanol 6817.65
    acetone 9577.79
    n-butanol 5640.08
    acetonitrile 5978.1
    DMF 4726.26
    toluene 2125.28
    isobutanol 3959.41
    1,4-dioxane 5766.06
    methyl acetate 5131.44
    THF 6073.34
    2-butanone 6943.57
    n-pentanol 2433.59
    sec-butanol 4234.72
    n-hexane 338.47
    ethylene glycol 340.06
    NMP 1452.71
    cyclohexane 542.98
    DMSO 5801.46
    n-butyl acetate 3618.19
    n-octanol 516.97
    chloroform 6055.83
    n-propyl acetate 2905.05
    acetic acid 1736.25
    dichloromethane 7689.25
    cyclohexanone 4696.32
    propylene glycol 864.17
    isopropyl acetate 3293.15
    DMAc 2259.25
    2-ethoxyethanol 2467.8
    isopentanol 3562.27
    n-heptane 184.67
    ethyl formate 2427.9
    1,2-dichloroethane 6875.65
    n-hexanol 2545.07
    2-methoxyethanol 5516.75
    isobutyl acetate 1280.72
    tetrachloromethane 576.77
    n-pentyl acetate 1086.97
    transcutol 8294.51
    n-heptanol 616.25
    ethylbenzene 681.1
    MIBK 2159.93
    2-propoxyethanol 3026.11
    tert-butanol 4366.94
    MTBE 5158.21
    2-butoxyethanol 1219.69
    propionic acid 2042.92
    o-xylene 641.17
    formic acid 241.29
    diethyl ether 9441.43
    m-xylene 885.88
    p-xylene 595.48
    chlorobenzene 1826.97
    dimethyl carbonate 999.77
    n-octane 58.48
    formamide 774.84
    cyclopentanone 4486.81
    2-pentanone 6858.88
    anisole 1422.93
    cyclopentyl methyl ether 3256.93
    gamma-butyrolactone 3563.06
    1-methoxy-2-propanol 4055.61
    pyridine 4914.9
    3-pentanone 3632.9
    furfural 2134.55
    n-dodecane 34.25
    diethylene glycol 1210.91
    diisopropyl ether 1310.97
    tert-amyl alcohol 2823.55
    acetylacetone 3553.86
    n-hexadecane 40.89
    acetophenone 1046.69
    methyl propionate 4672.91
    isopentyl acetate 2205.49
    trichloroethylene 8307.41
    n-nonanol 435.17
    cyclohexanol 2344.39
    benzyl alcohol 1002.86
    2-ethylhexanol 1173.5
    isooctanol 491.92
    dipropyl ether 2782.6
    1,2-dichlorobenzene 1131.28
    ethyl lactate 533.67
    propylene carbonate 1661.8
    n-methylformamide 2376.24
    2-pentanol 3617.86
    n-pentane 356.56
    1-propoxy-2-propanol 2418.64
    1-methoxy-2-propyl acetate 1941.78
    2-(2-methoxypropoxy) propanol 682.95
    mesitylene 426.73
    ε-caprolactone 2956.75
    p-cymene 285.77
    epichlorohydrin 6200.91
    1,1,1-trichloroethane 3741.93
    2-aminoethanol 1406.35
    morpholine-4-carbaldehyde 2165.25
    sulfolane 2722.17
    2,2,4-trimethylpentane 113.38
    2-methyltetrahydrofuran 5261.07
    n-hexyl acetate 1321.48
    isooctane 109.07
    2-(2-butoxyethoxy)ethanol 1323.47
    sec-butyl acetate 1486.97
    tert-butyl acetate 2103.07
    decalin 149.31
    glycerin 663.08
    diglyme 2938.48
    acrylic acid 1023.76
    isopropyl myristate 376.93
    n-butyric acid 4504.25
    acetyl acetate 1861.22
    di(2-ethylhexyl) phthalate 241.89
    ethyl propionate 2366.13
    nitromethane 3873.88
    1,2-diethoxyethane 3888.2
    benzonitrile 1377.98
    trioctyl phosphate 204.54
    1-bromopropane 4733.32
    gamma-valerolactone 4148.71
    n-decanol 297.83
    triethyl phosphate 357.37
    4-methyl-2-pentanol 1041.68
    propionitrile 4631.22
    vinylene carbonate 1384.33
    1,1,2-trichlorotrifluoroethane 2259.49
    DMS 780.3
    cumene 326.44
    2-octanol 359.5
    2-hexanone 2616.64
    octyl acetate 454.61
    limonene 534.47
    1,2-dimethoxyethane 4483.6
    ethyl orthosilicate 401.58
    tributyl phosphate 285.19
    diacetone alcohol 1859.27
    N,N-dimethylaniline 578.23
    acrylonitrile 3741.64
    aniline 2055.6
    1,3-propanediol 2320.42
    bromobenzene 2025.25
    dibromomethane 5099.01
    1,1,2,2-tetrachloroethane 5851.86
    2-methyl-cyclohexyl acetate 687.17
    tetrabutyl urea 367.18
    diisobutyl methanol 509.85
    2-phenylethanol 989.64
    styrene 1052.4
    dioctyl adipate 477.56
    dimethyl sulfate 910.67
    ethyl butyrate 2065.66
    methyl lactate 851.01
    butyl lactate 607.12
    diethyl carbonate 893.44
    propanediol butyl ether 833.08
    triethyl orthoformate 901.54
    p-tert-butyltoluene 262.6
    methyl 4-tert-butylbenzoate 517.8
    morpholine 8246.56
    tert-butylamine 2721.15
    n-dodecanol 216.22
    dimethoxymethane 5367.14
    ethylene carbonate 1455.93
    cyrene 466.7
    2-ethoxyethyl acetate 1566.56
    2-ethylhexyl acetate 1494.25
    1,2,4-trichlorobenzene 1221.0
    4-methylpyridine 4256.65
    dibutyl ether 1490.43
    2,6-dimethyl-4-heptanol 509.85
    DEF 4255.36
    dimethyl isosorbide 1000.68
    tetrachloroethylene 3377.33
    eugenol 521.68
    triacetin 782.77
    span 80 594.84
    1,4-butanediol 559.96
    1,1-dichloroethane 6542.91
    2-methyl-1-pentanol 1640.13
    methyl formate 1404.33
    2-methyl-1-butanol 3280.42
    n-decane 71.27
    butyronitrile 5291.19
    3,7-dimethyl-1-octanol 584.86
    1-chlorooctane 409.7
    1-chlorotetradecane 117.46
    n-nonane 76.83
    undecane 46.33
    tert-butylcyclohexane 137.64
    cyclooctane 138.2
    cyclopentanol 1838.88
    tetrahydropyran 8724.06
    tert-amyl methyl ether 2345.44
    2,5,8-trioxanonane 1339.99
    1-hexene 2048.67
    2-isopropoxyethanol 1519.64
    2,2,2-trifluoroethanol 278.98
    methyl butyrate 3213.96

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.27 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.64 %
Category 2
Products applied to the axillae
 0.08 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.64 %
Category 3
Products applied to the face/body using fingertips
 0.64 % Category 8
Products with significant anogenital exposure
 0.11 %
Category 4
Products related to fine fragrance
 1.5 % Category 9
Products with body and hand exposure, primarily rinse off
 1.6 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.38 % Category 10A
Household care products with mostly hand contact
 1.6 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.32 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3.5 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.38 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.11 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.11 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.11 %
Category 6
Products with oral and lip exposure
 0.32 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 79 %

Botanical

Name CAS Botanical Proportion
Rue (Cuba) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.61%