Fenipentol

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  • Identifiers

    CAS number
    583-03-9

    Molecular formula
    C11H16O

    SMILES
    CCCCC(C1=CC=CC=C1)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 67.84%
    Floral 59.72%
    Balsamic 52.09%
    Fruity 52.05%
    Herbal 48.77%
    Earthy 36.2%
    Spicy 34.82%
    Green 34.54%
    Rose 32.74%
    Musty 29.91%

     

    Flavor
    Sweet 68.17%
    Floral 49.61%
    Balsam 48.02%
    Spicy 45.83%
    Green 43.18%
    Fresh 36.24%
    Herbal 35.47%
    Earthy 31.51%
    Mild 30.79%
    Hyacinth 30.62%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.8 (neutral)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 114.12 ˚C est.

  • Synonyms

    • fenipentol
    • 1-phenylpentan-1-ol
    • 583-03-9
    • 1-Phenyl-1-pentanol
    • Pancoral
    • 1-Phenylpentanol
    • Phenylbutylcarbinol
    • alpha-Butylbenzyl alcohol
    • Suiclisin
    • 1-Pentanol, 1-phenyl-
    • 1-Phenyl-1-hydroxypentane
    • PH BC
    • Fenipentolum
    • 1-Hydroxy-1-phenylpentane
    • Benzenemethanol, .alpha.-butyl-
    • Fenipentol [INN:JAN]
    • alpha-Butylbenzenemethanol
    • Fenipentolum [INN-Latin]
    • .alpha.-Butylbenzyl alcohol
    • NSC 8478
    • 1-phenyl-1-hydroxy-n-pentane
    • PC 1
    • Benzyl alcohol, .alpha.-butyl-
    • PH-BC
    • NSC-8478
    • EINECS 209-493-9
    • Benzenemethanol, alpha-butyl-
    • BRN 1908761
    • X3FZE77O60
    • DTXSID4046818
    • AI3-36514
    • BENZYL ALCOHOL, alpha-BUTYL-
    • FENIPENTOL [MI]
    • FENIPENTOL [INN]
    • FENIPENTOL [JAN]
    • FENIPENTOL [MART.]
    • .alpha.-Butylbenzenemethanol
    • FENIPENTOL [WHO-DD]
    • DTXCID2026818
    • 4-06-00-03371 (Beilstein Handbook Reference)
    • (+/-)-1-PHENYL-1-PENTANOL
    • (+/-)-.ALPHA.-BUTYLBENZYL ALCOHOL
    • Fenipentolum (INN-Latin)
    • FENIPENTOL (MART.)
    • fenipentolo
    • UNII-X3FZE77O60
    • NCGC00181036-01
    • a-ButylbenzylAlcohol
    • MFCD00021935
    • n-Butyl phenyl carbinol
    • 1-Phenyl-pentan-1-ol
    • Fenipentol (JAN/INN)
    • 1-PHNP
    • SCHEMBL21837
    • CHEMBL2104321
    • CHEBI:31600
    • NSC8478
    • HMS3713L06
    • AAA58303
    • HY-B1273
    • UAA64153
    • Tox21_112684
    • s5702
    • AKOS009158098
    • CCG-213901
    • (+/-)-ALPHA-BUTYLBENZYL ALCOHOL
    • NCGC00344546-01
    • AS-76425
    • CAS-583-03-9
    • DA-53152
    • CS-0013053
    • NS00008854
    • P1086
    • D01751
    • D89432
    • D92069
    • EN300-128588
    • AB01563209_01
    • A831823
    • Q426345
    • SR-01000944264
    • SR-01000944264-1
    • BRD-A66284731-001-01-2
    • BRD-A66284731-001-02-0
    • 209-493-9

  • Applications

    Fenipentol (CAS 583-03-9) is an aromatic alcohol used as an intermediate in organic synthesis and as a solvent for industrial manufacturing processes; in the fragrance and cosmetics sector, it can serve as a fragrance base or fixative for perfume formulations and personal care products; in the plastics and coatings arena, it may be employed as a solvent or processing aid to adjust viscosity and coating performance; in addition, it is evaluated for industrial cleaning applications and for other chemical synthesis processes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2975.84
    methanol 2433.58
    isopropanol 2475.56
    water 0.17
    ethyl acetate 2023.62
    n-propanol 2366.48
    acetone 2487.21
    n-butanol 2158.83
    acetonitrile 2267.74
    DMF 2059.17
    toluene 499.56
    isobutanol 1528.97
    1,4-dioxane 3062.41
    methyl acetate 1508.82
    THF 2538.51
    2-butanone 1707.97
    n-pentanol 1196.73
    sec-butanol 1429.35
    n-hexane 366.07
    ethylene glycol 203.6
    NMP 668.98
    cyclohexane 440.77
    DMSO 2167.34
    n-butyl acetate 2128.41
    n-octanol 463.23
    chloroform 3171.63
    n-propyl acetate 1260.9
    acetic acid 1072.27
    dichloromethane 2822.22
    cyclohexanone 1923.38
    propylene glycol 343.2
    isopropyl acetate 1036.07
    DMAc 1031.83
    2-ethoxyethanol 1010.99
    isopentanol 1561.94
    n-heptane 224.73
    ethyl formate 1064.07
    1,2-dichloroethane 2320.17
    n-hexanol 1880.25
    2-methoxyethanol 1913.03
    isobutyl acetate 744.16
    tetrachloromethane 340.03
    n-pentyl acetate 583.62
    transcutol 3382.48
    n-heptanol 537.09
    ethylbenzene 302.28
    MIBK 799.04
    2-propoxyethanol 1788.1
    tert-butanol 2359.17
    MTBE 2048.32
    2-butoxyethanol 782.21
    propionic acid 961.68
    o-xylene 229.45
    formic acid 170.21
    diethyl ether 2822.72
    m-xylene 294.8
    p-xylene 329.31
    chlorobenzene 782.3
    dimethyl carbonate 328.7
    n-octane 79.3
    formamide 344.99
    cyclopentanone 1579.03
    2-pentanone 1623.97
    anisole 645.16
    cyclopentyl methyl ether 1084.35
    gamma-butyrolactone 1513.33
    1-methoxy-2-propanol 1391.07
    pyridine 1786.73
    3-pentanone 931.94
    furfural 1065.19
    n-dodecane 53.61
    diethylene glycol 798.79
    diisopropyl ether 535.14
    tert-amyl alcohol 1205.59
    acetylacetone 1095.32
    n-hexadecane 61.22
    acetophenone 487.81
    methyl propionate 1106.81
    isopentyl acetate 1411.82
    trichloroethylene 3021.08
    n-nonanol 392.16
    cyclohexanol 1052.56
    benzyl alcohol 455.56
    2-ethylhexanol 898.91
    isooctanol 425.22
    dipropyl ether 1454.74
    1,2-dichlorobenzene 559.74
    ethyl lactate 303.18
    propylene carbonate 915.39
    n-methylformamide 965.94
    2-pentanol 1235.17
    n-pentane 266.53
    1-propoxy-2-propanol 1349.37
    1-methoxy-2-propyl acetate 949.71
    2-(2-methoxypropoxy) propanol 484.08
    mesitylene 189.47
    ε-caprolactone 1359.55
    p-cymene 198.04
    epichlorohydrin 2125.77
    1,1,1-trichloroethane 1465.47
    2-aminoethanol 587.3
    morpholine-4-carbaldehyde 1060.54
    sulfolane 1208.93
    2,2,4-trimethylpentane 82.33
    2-methyltetrahydrofuran 1686.24
    n-hexyl acetate 745.77
    isooctane 91.27
    2-(2-butoxyethoxy)ethanol 792.39
    sec-butyl acetate 669.12
    tert-butyl acetate 842.24
    decalin 136.45
    glycerin 369.48
    diglyme 1610.45
    acrylic acid 560.48
    isopropyl myristate 276.57
    n-butyric acid 1952.87
    acetyl acetate 683.67
    di(2-ethylhexyl) phthalate 190.62
    ethyl propionate 796.9
    nitromethane 1692.3
    1,2-diethoxyethane 1752.16
    benzonitrile 733.11
    trioctyl phosphate 171.09
    1-bromopropane 1574.48
    gamma-valerolactone 1770.53
    n-decanol 291.58
    triethyl phosphate 240.3
    4-methyl-2-pentanol 538.82
    propionitrile 1759.97
    vinylene carbonate 800.89
    1,1,2-trichlorotrifluoroethane 935.16
    DMS 409.92
    cumene 193.39
    2-octanol 305.01
    2-hexanone 1216.77
    octyl acetate 328.17
    limonene 344.64
    1,2-dimethoxyethane 2348.75
    ethyl orthosilicate 252.79
    tributyl phosphate 219.34
    diacetone alcohol 741.89
    N,N-dimethylaniline 333.33
    acrylonitrile 1502.0
    aniline 628.37
    1,3-propanediol 1084.85
    bromobenzene 793.04
    dibromomethane 2012.16
    1,1,2,2-tetrachloroethane 2341.0
    2-methyl-cyclohexyl acetate 472.97
    tetrabutyl urea 280.09
    diisobutyl methanol 400.88
    2-phenylethanol 587.7
    styrene 454.65
    dioctyl adipate 321.61
    dimethyl sulfate 352.26
    ethyl butyrate 1084.81
    methyl lactate 333.76
    butyl lactate 392.96
    diethyl carbonate 585.57
    propanediol butyl ether 549.0
    triethyl orthoformate 579.16
    p-tert-butyltoluene 195.76
    methyl 4-tert-butylbenzoate 330.2
    morpholine 3299.12
    tert-butylamine 1642.61
    n-dodecanol 224.97
    dimethoxymethane 1528.79
    ethylene carbonate 822.31
    cyrene 311.39
    2-ethoxyethyl acetate 690.99
    2-ethylhexyl acetate 946.1
    1,2,4-trichlorobenzene 537.69
    4-methylpyridine 1482.58
    dibutyl ether 872.17
    2,6-dimethyl-4-heptanol 400.88
    DEF 1350.12
    dimethyl isosorbide 672.05
    tetrachloroethylene 1471.51
    eugenol 359.74
    triacetin 432.56
    span 80 453.43
    1,4-butanediol 333.98
    1,1-dichloroethane 2385.94
    2-methyl-1-pentanol 839.29
    methyl formate 659.69
    2-methyl-1-butanol 1222.43
    n-decane 95.5
    butyronitrile 2232.41
    3,7-dimethyl-1-octanol 458.93
    1-chlorooctane 342.27
    1-chlorotetradecane 126.89
    n-nonane 101.1
    undecane 69.0
    tert-butylcyclohexane 135.33
    cyclooctane 118.91
    cyclopentanol 807.17
    tetrahydropyran 3348.22
    tert-amyl methyl ether 863.69
    2,5,8-trioxanonane 869.59
    1-hexene 1239.71
    2-isopropoxyethanol 722.89
    2,2,2-trifluoroethanol 205.18
    methyl butyrate 1323.55

    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