2-Heptylphenol

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  • Identifiers

    CAS number
    5284-22-0

    Molecular formula
    C13H20O

    SMILES
    CCCCCCCC1=CC=CC=C1O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 57.05%
    Phenolic 54.35%
    Smoky 36.75%
    Balsamic 31.75%
    Burnt 31.45%
    Animal 30.17%
    Leathery 27.45%
    Medicinal 27.4%
    Sweet 26.15%
    Herbal 22.68%

     

    Flavor
    Phenolic 40.0%
    Medicinal 30.94%
    Spice 28.18%
    Mild 27.53%
    Spicy 27.5%
    Herbal 27.03%
    Woody 25.71%
    Creosote 23.75%
    Thymol 22.78%
    Guaiacol 22.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    9.66 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    278°C

    Flash point

    • 133.68 ˚C est.

  • Synonyms

    • 2-Heptylphenol
    • 5284-22-0
    • DTXSID001031515
    • RefChem:1063274
    • DTXCID901377954
    • 26997-02-4
    • HEPTYLPHENOL
    • Phenol, heptyl-
    • o-Heptylphenol
    • o-n-Heptylphenol
    • Phenol, o-heptyl-
    • Phenol, 2-heptyl-
    • n-heptylphenol
    • 2-heptyl-phenol
    • BRN 2253374
    • SCHEMBL184173
    • SCHEMBL660368
    • SCHEMBL4469886
    • SCHEMBL27508810
    • AKOS015917620
    • 4-06-00-03453 (Beilstein Handbook Reference)
    • 5284-22-0

  • Applications

    2-Heptylphenol (CAS 5284-22-0) is primarily used as an intermediate in organic synthesis, including the production of dyes, pigments, and specialty polymers. It may be used as a fragrance/odorant component in perfumery and personal care formulations. In the polymer and coatings industries, it can function as a stabilizer or antioxidant additive to improve processing and durability. It is a precursor for specialty chemicals used in coatings and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33957.83
    methanol 23517.31
    isopropanol 24114.56
    water 0.02
    ethyl acetate 39218.22
    n-propanol 27649.88
    acetone 38845.06
    n-butanol 19428.28
    acetonitrile 27478.01
    DMF 16872.22
    toluene 4463.86
    isobutanol 15700.04
    1,4-dioxane 21597.55
    methyl acetate 21369.65
    THF 23237.53
    2-butanone 29059.34
    n-pentanol 9199.43
    sec-butanol 16389.63
    n-hexane 2770.94
    ethylene glycol 571.46
    NMP 3800.7
    cyclohexane 2382.29
    DMSO 17085.15
    n-butyl acetate 17996.58
    n-octanol 1605.7
    chloroform 14210.25
    n-propyl acetate 14226.87
    acetic acid 4390.37
    dichloromethane 20795.05
    cyclohexanone 16189.87
    propylene glycol 1558.11
    isopropyl acetate 15806.16
    DMAc 6610.5
    2-ethoxyethanol 9192.64
    isopentanol 12450.17
    n-heptane 793.71
    ethyl formate 8438.18
    1,2-dichloroethane 20911.22
    n-hexanol 9947.54
    2-methoxyethanol 17746.83
    isobutyl acetate 5732.12
    tetrachloromethane 1738.67
    n-pentyl acetate 4294.82
    transcutol 22003.29
    n-heptanol 2015.52
    ethylbenzene 1703.44
    MIBK 8800.77
    2-propoxyethanol 12561.27
    tert-butanol 21340.02
    MTBE 36606.8
    2-butoxyethanol 3748.61
    propionic acid 6470.2
    o-xylene 1376.92
    formic acid 526.52
    diethyl ether 54479.35
    m-xylene 2000.2
    p-xylene 1650.96
    chlorobenzene 4221.69
    dimethyl carbonate 2339.98
    n-octane 262.04
    formamide 2002.0
    cyclopentanone 13252.1
    2-pentanone 26526.1
    anisole 4077.66
    cyclopentyl methyl ether 11968.34
    gamma-butyrolactone 10906.23
    1-methoxy-2-propanol 13092.61
    pyridine 13626.57
    3-pentanone 14119.26
    furfural 4765.4
    n-dodecane 136.54
    diethylene glycol 3223.12
    diisopropyl ether 7856.73
    tert-amyl alcohol 12928.87
    acetylacetone 11798.36
    n-hexadecane 163.1
    acetophenone 2381.58
    methyl propionate 17601.33
    isopentyl acetate 10698.36
    trichloroethylene 19745.52
    n-nonanol 1330.36
    cyclohexanol 7066.74
    benzyl alcohol 2189.83
    2-ethylhexanol 4093.39
    isooctanol 1677.59
    dipropyl ether 12948.73
    1,2-dichlorobenzene 2509.76
    ethyl lactate 1451.55
    propylene carbonate 4740.7
    n-methylformamide 9425.77
    2-pentanol 12911.04
    n-pentane 2006.34
    1-propoxy-2-propanol 8881.83
    1-methoxy-2-propyl acetate 8110.01
    2-(2-methoxypropoxy) propanol 1721.89
    mesitylene 1029.77
    ε-caprolactone 10658.31
    p-cymene 712.4
    epichlorohydrin 19252.21
    1,1,1-trichloroethane 11759.93
    2-aminoethanol 3363.45
    morpholine-4-carbaldehyde 5795.63
    sulfolane 6971.9
    2,2,4-trimethylpentane 458.62
    2-methyltetrahydrofuran 21690.09
    n-hexyl acetate 4459.46
    isooctane 496.26
    2-(2-butoxyethoxy)ethanol 3657.57
    sec-butyl acetate 7075.5
    tert-butyl acetate 10578.53
    decalin 567.45
    glycerin 1055.11
    diglyme 8088.78
    acrylic acid 2411.04
    isopropyl myristate 1244.26
    n-butyric acid 14413.65
    acetyl acetate 5842.37
    di(2-ethylhexyl) phthalate 540.41
    ethyl propionate 9738.82
    nitromethane 12867.35
    1,2-diethoxyethane 18576.26
    benzonitrile 3607.71
    trioctyl phosphate 544.05
    1-bromopropane 17788.27
    gamma-valerolactone 13747.5
    n-decanol 923.85
    triethyl phosphate 990.37
    4-methyl-2-pentanol 4049.34
    propionitrile 22261.6
    vinylene carbonate 3511.03
    1,1,2-trichlorotrifluoroethane 4455.73
    DMS 2339.54
    cumene 817.7
    2-octanol 1283.05
    2-hexanone 12406.61
    octyl acetate 1490.09
    limonene 1586.52
    1,2-dimethoxyethane 19202.97
    ethyl orthosilicate 1136.28
    tributyl phosphate 832.23
    diacetone alcohol 6468.39
    N,N-dimethylaniline 1498.74
    acrylonitrile 14608.03
    aniline 4810.06
    1,3-propanediol 6395.25
    bromobenzene 4396.71
    dibromomethane 14325.96
    1,1,2,2-tetrachloroethane 13803.31
    2-methyl-cyclohexyl acetate 2209.67
    tetrabutyl urea 966.92
    diisobutyl methanol 1740.55
    2-phenylethanol 2483.51
    styrene 2743.0
    dioctyl adipate 1288.94
    dimethyl sulfate 2002.27
    ethyl butyrate 8369.56
    methyl lactate 1981.17
    butyl lactate 1958.11
    diethyl carbonate 3021.58
    propanediol butyl ether 1931.48
    triethyl orthoformate 3069.29
    p-tert-butyltoluene 714.76
    methyl 4-tert-butylbenzoate 1140.74
    morpholine 33024.51
    tert-butylamine 14352.56
    n-dodecanol 664.79
    dimethoxymethane 18758.76
    ethylene carbonate 4171.7
    cyrene 929.95
    2-ethoxyethyl acetate 5213.15
    2-ethylhexyl acetate 6767.27
    1,2,4-trichlorobenzene 2435.33
    4-methylpyridine 13246.56
    dibutyl ether 7303.26
    2,6-dimethyl-4-heptanol 1740.55
    DEF 18003.9
    dimethyl isosorbide 2633.77
    tetrachloroethylene 7883.95
    eugenol 1078.42
    triacetin 1887.75
    span 80 1417.13
    1,4-butanediol 1404.77
    1,1-dichloroethane 23790.47
    2-methyl-1-pentanol 5823.86
    methyl formate 4421.32
    2-methyl-1-butanol 10979.78
    n-decane 291.51
    butyronitrile 22712.81
    3,7-dimethyl-1-octanol 2034.38
    1-chlorooctane 1450.94
    1-chlorotetradecane 390.77
    n-nonane 326.14
    undecane 190.28
    tert-butylcyclohexane 574.53
    cyclooctane 535.48
    cyclopentanol 6310.07
    tetrahydropyran 36433.06
    tert-amyl methyl ether 13065.26
    2,5,8-trioxanonane 3085.12
    1-hexene 11947.64
    2-isopropoxyethanol 5729.52
    2,2,2-trifluoroethanol 623.79
    methyl butyrate 13911.02

    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