6-Phenyl-1-hexanol

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  • Identifiers

    CAS number
    2430-16-2

    Molecular formula
    C12H18O

    SMILES
    C1=CC=C(C=C1)CCCCCCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 80.7%
    Rose 75.78%
    Sweet 59.64%
    Waxy 48.69%
    Citrus 45.94%
    Balsamic 44.79%
    Honey 44.48%
    Herbal 43.84%
    Fresh 42.17%
    Clean 34.96%

     

    Flavor
    Green 71.63%
    Sweet 60.6%
    Rose 59.32%
    Floral 57.52%
    Waxy 52.59%
    Fresh 45.85%
    Balsam 41.83%
    Honey 38.0%
    Hyacinth 37.01%
    Earthy 35.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.81 (neutral)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    280°C

    Flash point

    • 139.35 ˚C est.

  • Synonyms

    • 6-Phenyl-1-hexanol
    • 6-phenylhexan-1-ol
    • 2430-16-2
    • Benzenehexanol
    • 6-Phenylhexanol
    • 6-Phenyl-n-hexanol
    • DTXSID50179033
    • MFCD00014063
    • 6-Phenyl hexanol-1
    • 6-phenyl-hexan-1-ol
    • SCHEMBL95368
    • 6-Phenyl-1-hexanol, 97%
    • CHEMBL3730920
    • DTXCID80101524
    • AKOS009157099
    • DB-046388
    • CS-0204723
    • F87418
    • 626-069-2

  • Applications

    6-Phenyl-1-hexanol (CAS 2430-16-2) is a long-chain, primary alcohol with a terminal phenyl substituent used primarily as a fragrance ingredient and as an intermediate in aroma chemistry. In perfumery it serves as a base odor component and a precursor to fragrant esters; in cosmetics and personal care it can be incorporated into formulations to contribute fragrance in products such as lotions, shampoos, and other daily care items. It may also be evaluated for flavor/aroma applications as an aroma intermediate where permitted by regulation. In industrial manufacturing it provides a building block for specialty esters and other aroma-related chemicals, and can function as a processing aid or solvent in coatings, inks, and adhesive formulations under appropriate handling and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7818.75
    methanol 7146.41
    isopropanol 5216.37
    water 0.1
    ethyl acetate 7147.32
    n-propanol 5754.03
    acetone 5920.5
    n-butanol 4184.11
    acetonitrile 4653.85
    DMF 1778.61
    toluene 735.23
    isobutanol 2942.12
    1,4-dioxane 7312.8
    methyl acetate 3502.69
    THF 5846.18
    2-butanone 3766.8
    n-pentanol 2356.23
    sec-butanol 2985.43
    n-hexane 338.05
    ethylene glycol 551.09
    NMP 508.03
    cyclohexane 473.6
    DMSO 5339.25
    n-butyl acetate 2420.5
    n-octanol 340.29
    chloroform 3629.97
    n-propyl acetate 2544.67
    acetic acid 2058.67
    dichloromethane 4161.55
    cyclohexanone 2972.55
    propylene glycol 978.69
    isopropyl acetate 2489.01
    DMAc 1022.29
    2-ethoxyethanol 3364.03
    isopentanol 2782.41
    n-heptane 214.24
    ethyl formate 1865.12
    1,2-dichloroethane 4012.84
    n-hexanol 2007.84
    2-methoxyethanol 5837.26
    isobutyl acetate 1102.24
    tetrachloromethane 421.21
    n-pentyl acetate 632.51
    transcutol 7192.88
    n-heptanol 463.76
    ethylbenzene 296.09
    MIBK 1499.66
    2-propoxyethanol 3112.12
    tert-butanol 4465.72
    MTBE 4081.85
    2-butoxyethanol 993.11
    propionic acid 2000.96
    o-xylene 289.94
    formic acid 404.06
    diethyl ether 7740.39
    m-xylene 385.95
    p-xylene 280.84
    chlorobenzene 742.54
    dimethyl carbonate 509.52
    n-octane 57.09
    formamide 894.1
    cyclopentanone 2401.27
    2-pentanone 3888.51
    anisole 762.39
    cyclopentyl methyl ether 2256.94
    gamma-butyrolactone 2315.39
    1-methoxy-2-propanol 3688.36
    pyridine 2676.49
    3-pentanone 1974.44
    furfural 1344.48
    n-dodecane 31.0
    diethylene glycol 1576.07
    diisopropyl ether 1123.42
    tert-amyl alcohol 2209.41
    acetylacetone 2371.92
    n-hexadecane 35.95
    acetophenone 509.11
    methyl propionate 2786.62
    isopentyl acetate 1498.27
    trichloroethylene 4111.72
    n-nonanol 305.08
    cyclohexanol 1776.22
    benzyl alcohol 599.31
    2-ethylhexanol 860.89
    isooctanol 368.72
    dipropyl ether 2509.47
    1,2-dichlorobenzene 523.6
    ethyl lactate 438.6
    propylene carbonate 1083.69
    n-methylformamide 1705.68
    2-pentanol 2537.08
    n-pentane 288.23
    1-propoxy-2-propanol 2007.54
    1-methoxy-2-propyl acetate 1541.6
    2-(2-methoxypropoxy) propanol 530.03
    mesitylene 229.22
    ε-caprolactone 2139.23
    p-cymene 165.29
    epichlorohydrin 4149.89
    1,1,1-trichloroethane 1985.02
    2-aminoethanol 1804.69
    morpholine-4-carbaldehyde 1622.76
    sulfolane 1719.26
    2,2,4-trimethylpentane 90.15
    2-methyltetrahydrofuran 3752.24
    n-hexyl acetate 727.1
    isooctane 95.67
    2-(2-butoxyethoxy)ethanol 1141.03
    sec-butyl acetate 1183.63
    tert-butyl acetate 1718.71
    decalin 124.67
    glycerin 841.0
    diglyme 2627.56
    acrylic acid 889.76
    isopropyl myristate 247.69
    n-butyric acid 3812.9
    acetyl acetate 1494.16
    di(2-ethylhexyl) phthalate 159.96
    ethyl propionate 1709.38
    nitromethane 3796.66
    1,2-diethoxyethane 3353.55
    benzonitrile 615.64
    trioctyl phosphate 140.03
    1-bromopropane 2541.82
    gamma-valerolactone 3142.38
    n-decanol 216.36
    triethyl phosphate 281.94
    4-methyl-2-pentanol 849.06
    propionitrile 3116.2
    vinylene carbonate 828.8
    1,1,2-trichlorotrifluoroethane 1554.9
    DMS 472.81
    cumene 171.46
    2-octanol 231.8
    2-hexanone 1984.45
    octyl acetate 285.45
    limonene 349.41
    1,2-dimethoxyethane 5273.1
    ethyl orthosilicate 329.87
    tributyl phosphate 199.07
    diacetone alcohol 1396.08
    N,N-dimethylaniline 306.7
    acrylonitrile 2345.31
    aniline 1000.26
    1,3-propanediol 2716.9
    bromobenzene 760.85
    dibromomethane 2782.3
    1,1,2,2-tetrachloroethane 3145.93
    2-methyl-cyclohexyl acetate 510.76
    tetrabutyl urea 233.28
    diisobutyl methanol 449.48
    2-phenylethanol 577.91
    styrene 447.45
    dioctyl adipate 320.94
    dimethyl sulfate 496.32
    ethyl butyrate 1618.44
    methyl lactate 593.75
    butyl lactate 407.62
    diethyl carbonate 725.47
    propanediol butyl ether 604.12
    triethyl orthoformate 805.76
    p-tert-butyltoluene 159.71
    methyl 4-tert-butylbenzoate 306.77
    morpholine 8373.97
    tert-butylamine 2710.63
    n-dodecanol 163.84
    dimethoxymethane 3576.32
    ethylene carbonate 1014.37
    cyrene 326.69
    2-ethoxyethyl acetate 1024.13
    2-ethylhexyl acetate 960.59
    1,2,4-trichlorobenzene 531.39
    4-methylpyridine 1812.1
    dibutyl ether 1144.82
    2,6-dimethyl-4-heptanol 449.48
    DEF 2583.79
    dimethyl isosorbide 782.43
    tetrachloroethylene 2135.74
    eugenol 321.87
    triacetin 518.8
    span 80 481.73
    1,4-butanediol 749.44
    1,1-dichloroethane 3573.96
    2-methyl-1-pentanol 1372.19
    methyl formate 997.55
    2-methyl-1-butanol 2147.88
    n-decane 64.24
    butyronitrile 3490.29
    3,7-dimethyl-1-octanol 410.1
    1-chlorooctane 255.54
    1-chlorotetradecane 82.68
    n-nonane 69.98
    undecane 42.36
    tert-butylcyclohexane 120.05
    cyclooctane 123.21
    cyclopentanol 1480.85
    tetrahydropyran 7325.87
    tert-amyl methyl ether 1677.14
    2,5,8-trioxanonane 1133.24
    1-hexene 1573.54
    2-isopropoxyethanol 1738.32
    2,2,2-trifluoroethanol 307.33
    methyl butyrate 2434.42

    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