Benzeneheptanol

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  • Identifiers

    CAS number
    3208-25-1

    Molecular formula
    C13H20O

    SMILES
    C1=CC=C(C=C1)CCCCCCCO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 75.36%
    Rose 70.98%
    Waxy 53.48%
    Sweet 53.08%
    Citrus 45.08%
    Balsamic 42.03%
    Fresh 41.0%
    Honey 40.89%
    Herbal 37.6%
    Clean 36.17%

     

    Flavor
    Green 67.55%
    Waxy 60.69%
    Floral 59.45%
    Rose 57.73%
    Sweet 54.04%
    Fresh 46.29%
    Fruity 36.98%
    Balsam 36.07%
    Fatty 34.68%
    Clean 34.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.67 (neutral)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 145.08 ˚C est.

  • Synonyms

    • 7-phenylheptan-1-ol
    • 3208-25-1
    • 7-PHENYL-1-HEPTANOL
    • Benzeneheptanol
    • DTXSID60185882
    • 7-phenylheptanol
    • phenylheptyl alcohol
    • MFCD00037315
    • 7-Phenyl-n-heptanol
    • 7-phenylheptyl alcohol
    • SCHEMBL405974
    • DTXCID00108373
    • ALBB-025078
    • AKOS015998308
    • AT35285
    • SB85095
    • AS-57228
    • DB-242941
    • CS-0217335
    • EN300-7373268

  • Applications

    Benzeneheptanol (CAS 3208-25-1) is used primarily as an intermediate in specialty chemical synthesis and in fragrance-related formulations. In perfumery and cosmetics, it is typically evaluated as an odorant ingredient or a fragrance fixative, leveraging its long aliphatic chain to help modulate and prolong aroma. It may also serve as a solvent or starting material for producing esters and other fragrance-related compounds used in consumer aroma products. In industrial manufacturing, it functions as a processing solvent or precursor for specialty chemicals, and in coatings, inks, and household cleaning formulations it can act as a solvent or processing aid. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8724.05
    methanol 8400.23
    isopropanol 6339.97
    water 0.07
    ethyl acetate 8053.05
    n-propanol 6975.83
    acetone 9057.61
    n-butanol 5048.48
    acetonitrile 4953.24
    DMF 2920.08
    toluene 949.61
    isobutanol 3782.91
    1,4-dioxane 7781.02
    methyl acetate 4296.57
    THF 7376.1
    2-butanone 5414.6
    n-pentanol 2775.36
    sec-butanol 3811.83
    n-hexane 466.12
    ethylene glycol 504.32
    NMP 922.88
    cyclohexane 646.55
    DMSO 7868.0
    n-butyl acetate 3089.38
    n-octanol 408.37
    chloroform 4520.11
    n-propyl acetate 3510.56
    acetic acid 2221.13
    dichloromethane 5499.82
    cyclohexanone 4407.54
    propylene glycol 962.6
    isopropyl acetate 3085.45
    DMAc 1561.71
    2-ethoxyethanol 3852.44
    isopentanol 3433.29
    n-heptane 267.82
    ethyl formate 2243.79
    1,2-dichloroethane 5583.47
    n-hexanol 2284.88
    2-methoxyethanol 6787.6
    isobutyl acetate 1412.05
    tetrachloromethane 595.2
    n-pentyl acetate 889.09
    transcutol 8314.71
    n-heptanol 561.71
    ethylbenzene 393.83
    MIBK 2033.99
    2-propoxyethanol 3472.63
    tert-butanol 5391.15
    MTBE 5264.69
    2-butoxyethanol 1216.62
    propionic acid 2393.09
    o-xylene 391.58
    formic acid 393.88
    diethyl ether 9384.55
    m-xylene 482.19
    p-xylene 377.73
    chlorobenzene 956.95
    dimethyl carbonate 640.85
    n-octane 69.89
    formamide 1007.56
    cyclopentanone 3831.01
    2-pentanone 5436.2
    anisole 974.37
    cyclopentyl methyl ether 3161.31
    gamma-butyrolactone 3310.99
    1-methoxy-2-propanol 4463.85
    pyridine 3455.7
    3-pentanone 2768.52
    furfural 1689.52
    n-dodecane 34.05
    diethylene glycol 1584.54
    diisopropyl ether 1410.69
    tert-amyl alcohol 2848.2
    acetylacetone 3038.81
    n-hexadecane 39.95
    acetophenone 670.03
    methyl propionate 3586.77
    isopentyl acetate 1935.6
    trichloroethylene 5425.28
    n-nonanol 359.72
    cyclohexanol 2337.6
    benzyl alcohol 753.6
    2-ethylhexanol 1055.3
    isooctanol 462.81
    dipropyl ether 3269.65
    1,2-dichlorobenzene 693.31
    ethyl lactate 552.06
    propylene carbonate 1441.84
    n-methylformamide 2341.79
    2-pentanol 3078.6
    n-pentane 361.86
    1-propoxy-2-propanol 2388.09
    1-methoxy-2-propyl acetate 1895.85
    2-(2-methoxypropoxy) propanol 617.11
    mesitylene 286.03
    ε-caprolactone 2981.84
    p-cymene 215.42
    epichlorohydrin 5419.6
    1,1,1-trichloroethane 2691.13
    2-aminoethanol 1897.86
    morpholine-4-carbaldehyde 2097.71
    sulfolane 2692.97
    2,2,4-trimethylpentane 117.04
    2-methyltetrahydrofuran 5050.99
    n-hexyl acetate 964.5
    isooctane 115.83
    2-(2-butoxyethoxy)ethanol 1296.45
    sec-butyl acetate 1579.92
    tert-butyl acetate 2186.55
    decalin 162.05
    glycerin 824.25
    diglyme 3166.38
    acrylic acid 1051.51
    isopropyl myristate 307.6
    n-butyric acid 4497.84
    acetyl acetate 1687.69
    di(2-ethylhexyl) phthalate 191.51
    ethyl propionate 2369.13
    nitromethane 4635.62
    1,2-diethoxyethane 4184.08
    benzonitrile 787.74
    trioctyl phosphate 174.04
    1-bromopropane 3463.05
    gamma-valerolactone 4329.91
    n-decanol 249.5
    triethyl phosphate 365.02
    4-methyl-2-pentanol 1024.45
    propionitrile 3700.12
    vinylene carbonate 1036.5
    1,1,2-trichlorotrifluoroethane 2025.61
    DMS 570.13
    cumene 227.59
    2-octanol 295.33
    2-hexanone 2805.24
    octyl acetate 361.48
    limonene 470.99
    1,2-dimethoxyethane 6424.22
    ethyl orthosilicate 418.1
    tributyl phosphate 248.43
    diacetone alcohol 1783.34
    N,N-dimethylaniline 402.43
    acrylonitrile 2748.67
    aniline 1264.52
    1,3-propanediol 2886.59
    bromobenzene 989.72
    dibromomethane 3706.9
    1,1,2,2-tetrachloroethane 4238.34
    2-methyl-cyclohexyl acetate 670.81
    tetrabutyl urea 292.8
    diisobutyl methanol 541.37
    2-phenylethanol 682.38
    styrene 593.22
    dioctyl adipate 400.62
    dimethyl sulfate 681.82
    ethyl butyrate 2131.54
    methyl lactate 713.6
    butyl lactate 561.49
    diethyl carbonate 897.14
    propanediol butyl ether 713.62
    triethyl orthoformate 1019.01
    p-tert-butyltoluene 204.12
    methyl 4-tert-butylbenzoate 392.6
    morpholine 9858.76
    tert-butylamine 3192.86
    n-dodecanol 186.4
    dimethoxymethane 4620.6
    ethylene carbonate 1276.82
    cyrene 392.5
    2-ethoxyethyl acetate 1331.68
    2-ethylhexyl acetate 1260.46
    1,2,4-trichlorobenzene 720.64
    4-methylpyridine 2490.18
    dibutyl ether 1498.49
    2,6-dimethyl-4-heptanol 541.37
    DEF 3636.92
    dimethyl isosorbide 942.9
    tetrachloroethylene 2932.43
    eugenol 389.17
    triacetin 650.11
    span 80 554.21
    1,4-butanediol 800.8
    1,1-dichloroethane 4693.5
    2-methyl-1-pentanol 1624.2
    methyl formate 1342.31
    2-methyl-1-butanol 2824.8
    n-decane 74.88
    butyronitrile 4277.39
    3,7-dimethyl-1-octanol 493.05
    1-chlorooctane 325.72
    1-chlorotetradecane 99.52
    n-nonane 83.32
    undecane 47.42
    tert-butylcyclohexane 153.17
    cyclooctane 161.16
    cyclopentanol 2067.51
    tetrahydropyran 9316.7
    tert-amyl methyl ether 2245.28
    2,5,8-trioxanonane 1309.8
    1-hexene 2073.06
    2-isopropoxyethanol 2011.92
    2,2,2-trifluoroethanol 358.48
    methyl butyrate 3451.08

    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