Heptyl benzoate

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  • Identifiers

    CAS number
    7155-12-6

    Molecular formula
    C14H20O2

    SMILES
    CCCCCCCOC(=O)C1=CC=CC=C1

  • Odor profile

    Fragrance
    Balsamic 75.93%
    Green 72.84%
    Herbal 65.24%
    Floral 62.8%
    Sweet 49.93%
    Fruity 49.59%
    Oily 46.04%
    Fresh 43.19%
    Woody 37.65%
    Waxy 34.02%

     

    Flavor
    Balsam 64.01%
    Green 53.92%
    Fruity 50.41%
    Waxy 47.08%
    Floral 42.11%
    Fresh 37.03%
    Oily 35.92%
    Woody 35.86%
    Herbal 35.56%
    Amber 35.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    6.72 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    299°C

    Flash point

    • 133.13 ˚C est.

  • Synonyms

    • Heptyl benzoate
    • Benzoic acid, heptyl ester
    • 7155-12-6
    • AV223R3A6M
    • NSC-53805
    • n-heptyl benzoate
    • Heptyl benzoate #
    • UNII-AV223R3A6M
    • SCHEMBL131377
    • DTXSID60221794
    • NSC53805
    • EINECS 230-511-6
    • NSC 53805
    • AKOS024390965
    • AI3-06027
    • DS-010380
    • NS00044293

  • Applications

    Heptyl benzoate (CAS 7155-12-6) is primarily used in perfumery as a fragrance ingredient and fixative to help extend aroma; in cosmetics and personal care it serves as a fragrance solvent and carrier for oil-based formulations. It also functions as a low-volatility solvent in household products such as air fresheners and cleaners, in coatings and inks as a processing solvent and medium to dissolve and blend fragrance components, and in polymers and plastics formulations as a plasticizer or processing aid to improve flexibility and handling. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8081.41
    methanol 9674.94
    isopropanol 4920.11
    water 0.15
    ethyl acetate 10136.16
    n-propanol 6292.61
    acetone 14958.3
    n-butanol 5219.05
    acetonitrile 12379.73
    DMF 13168.29
    toluene 3667.34
    isobutanol 4447.86
    1,4-dioxane 5953.62
    methyl acetate 7033.62
    THF 6328.43
    2-butanone 10071.61
    n-pentanol 2769.78
    sec-butanol 4326.42
    n-hexane 510.75
    ethylene glycol 381.1
    NMP 6563.93
    cyclohexane 953.73
    DMSO 10391.22
    n-butyl acetate 5363.82
    n-octanol 885.78
    chloroform 13178.48
    n-propyl acetate 5000.34
    acetic acid 3870.27
    dichloromethane 17959.84
    cyclohexanone 11397.65
    propylene glycol 735.41
    isopropyl acetate 4507.0
    DMAc 6283.16
    2-ethoxyethanol 3023.43
    isopentanol 3797.53
    n-heptane 169.75
    ethyl formate 4321.44
    1,2-dichloroethane 15663.0
    n-hexanol 2487.4
    2-methoxyethanol 5846.36
    isobutyl acetate 2253.66
    tetrachloromethane 1198.23
    n-pentyl acetate 2524.91
    transcutol 10240.77
    n-heptanol 849.87
    ethylbenzene 1483.94
    MIBK 3103.8
    2-propoxyethanol 3331.32
    tert-butanol 4006.7
    MTBE 5467.87
    2-butoxyethanol 1695.36
    propionic acid 3652.78
    o-xylene 1482.11
    formic acid 742.51
    diethyl ether 8279.5
    m-xylene 1621.57
    p-xylene 1679.71
    chlorobenzene 5297.25
    dimethyl carbonate 1759.84
    n-octane 81.23
    formamide 2281.19
    cyclopentanone 9093.57
    2-pentanone 8789.35
    anisole 2960.4
    cyclopentyl methyl ether 4537.6
    gamma-butyrolactone 8259.76
    1-methoxy-2-propanol 3994.98
    pyridine 10040.72
    3-pentanone 5460.26
    furfural 5786.11
    n-dodecane 62.15
    diethylene glycol 1514.02
    diisopropyl ether 1441.45
    tert-amyl alcohol 3367.24
    acetylacetone 5989.96
    n-hexadecane 76.34
    acetophenone 2759.23
    methyl propionate 6231.22
    isopentyl acetate 3750.02
    trichloroethylene 21161.52
    n-nonanol 735.83
    cyclohexanol 4004.17
    benzyl alcohol 1978.25
    2-ethylhexanol 1325.29
    isooctanol 726.69
    dipropyl ether 2081.3
    1,2-dichlorobenzene 3902.92
    ethyl lactate 1074.31
    propylene carbonate 4119.82
    n-methylformamide 6481.86
    2-pentanol 3301.06
    n-pentane 407.1
    1-propoxy-2-propanol 2432.85
    1-methoxy-2-propyl acetate 2924.66
    2-(2-methoxypropoxy) propanol 1230.25
    mesitylene 832.06
    ε-caprolactone 7341.75
    p-cymene 531.43
    epichlorohydrin 11620.69
    1,1,1-trichloroethane 9003.64
    2-aminoethanol 1509.02
    morpholine-4-carbaldehyde 4875.61
    sulfolane 7509.28
    2,2,4-trimethylpentane 168.28
    2-methyltetrahydrofuran 6317.4
    n-hexyl acetate 2838.93
    isooctane 134.9
    2-(2-butoxyethoxy)ethanol 2094.52
    sec-butyl acetate 2679.03
    tert-butyl acetate 3358.24
    decalin 313.28
    glycerin 680.18
    diglyme 4445.02
    acrylic acid 2465.56
    isopropyl myristate 768.07
    n-butyric acid 6863.1
    acetyl acetate 3435.5
    di(2-ethylhexyl) phthalate 529.8
    ethyl propionate 3936.63
    nitromethane 10342.57
    1,2-diethoxyethane 4703.19
    benzonitrile 3937.41
    trioctyl phosphate 412.28
    1-bromopropane 8441.46
    gamma-valerolactone 8885.11
    n-decanol 489.41
    triethyl phosphate 706.07
    4-methyl-2-pentanol 1191.67
    propionitrile 7815.24
    vinylene carbonate 3742.89
    1,1,2-trichlorotrifluoroethane 4531.9
    DMS 2030.27
    cumene 714.95
    2-octanol 654.24
    2-hexanone 4635.55
    octyl acetate 1024.46
    limonene 932.24
    1,2-dimethoxyethane 5629.25
    ethyl orthosilicate 671.03
    tributyl phosphate 625.87
    diacetone alcohol 2559.48
    N,N-dimethylaniline 1395.69
    acrylonitrile 8950.23
    aniline 3672.52
    1,3-propanediol 2516.21
    bromobenzene 5939.9
    dibromomethane 11464.28
    1,1,2,2-tetrachloroethane 15248.62
    2-methyl-cyclohexyl acetate 1340.63
    tetrabutyl urea 870.1
    diisobutyl methanol 607.81
    2-phenylethanol 1617.67
    styrene 2538.44
    dioctyl adipate 984.59
    dimethyl sulfate 2179.2
    ethyl butyrate 2798.11
    methyl lactate 1461.55
    butyl lactate 1440.28
    diethyl carbonate 1525.69
    propanediol butyl ether 1370.84
    triethyl orthoformate 1284.41
    p-tert-butyltoluene 467.83
    methyl 4-tert-butylbenzoate 1207.39
    morpholine 9205.07
    tert-butylamine 2541.16
    n-dodecanol 351.13
    dimethoxymethane 5839.99
    ethylene carbonate 3295.73
    cyrene 968.7
    2-ethoxyethyl acetate 3037.55
    2-ethylhexyl acetate 2681.68
    1,2,4-trichlorobenzene 4082.06
    4-methylpyridine 9877.95
    dibutyl ether 2080.18
    2,6-dimethyl-4-heptanol 607.81
    DEF 9195.07
    dimethyl isosorbide 1927.63
    tetrachloroethylene 8121.74
    eugenol 1258.73
    triacetin 1789.66
    span 80 1059.37
    1,4-butanediol 809.07
    1,1-dichloroethane 13947.84
    2-methyl-1-pentanol 2290.64
    methyl formate 3764.34
    2-methyl-1-butanol 3957.72
    n-decane 114.58
    butyronitrile 8460.8
    3,7-dimethyl-1-octanol 950.89
    1-chlorooctane 859.32
    1-chlorotetradecane 249.05
    n-nonane 116.2
    undecane 79.89
    tert-butylcyclohexane 244.72
    cyclooctane 190.91
    cyclopentanol 3221.14
    tetrahydropyran 9329.27
    tert-amyl methyl ether 3006.87
    2,5,8-trioxanonane 2292.15
    1-hexene 2841.52
    2-isopropoxyethanol 2009.69
    2,2,2-trifluoroethanol 898.49
    methyl butyrate 6260.83

    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