Heptyl phenylacetate

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  • Identifiers

    CAS number
    39736-25-9

    Molecular formula
    C15H22O2

    SMILES
    CCCCCCCOC(=O)CC1=CC=CC=C1

  • Odor profile

    Floral 74.83%
    Sweet 72.14%
    Rose 65.66%
    Green 60.73%
    Honey 59.78%
    Waxy 58.68%
    Fruity 57.76%
    Herbal 47.19%
    Fatty 46.1%
    Balsamic 45.08%

    Scent© AI

  • Properties

    XLogP3-AA
    4.8

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point est.
    140.33 ˚C

  • Synonyms

    • Heptyl phenylacetate
    • 39736-25-9
    • heptyl 2-phenylacetate
    • Benzeneacetic acid, heptyl ester
    • Heptylphenyl acetate
    • F43QT54KTR
    • HEPTYL PHENYL ACETATE
    • NSC 406420
    • EINECS 254-609-3
    • NSC-406420
    • N-HEPTYL PHENYLACETATE
    • AI3-19339
    • DTXSID1068198
    • ACETIC ACID, PHENYL-, HEPTYL ESTER
    • Phenylacetic acid heptyl ester
    • UNII-F43QT54KTR
    • SCHEMBL3504146
    • DTXCID7039674
    • NSC406420
    • (S)-(-)-1-(4-Methoxy-phenyl)-ethylamine
    • NS00030657
    • A13167
    • Q63409634
    • 254-609-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3578.99
    methanol 4700.91
    isopropanol 1862.07
    water 0.13
    ethyl acetate 3004.56
    n-propanol 2403.21
    acetone 5310.62
    n-butanol 1772.31
    acetonitrile 3422.81
    DMF 4773.68
    toluene 850.25
    isobutanol 1431.83
    1,4-dioxane 2698.61
    methyl acetate 2117.54
    THF 3081.3
    2-butanone 2916.21
    n-pentanol 1085.79
    sec-butanol 1339.4
    n-hexane 125.45
    ethylene glycol 249.63
    NMP 2308.55
    cyclohexane 235.9
    DMSO 6185.99
    n-butyl acetate 1632.38
    n-octanol 256.26
    chloroform 5362.85
    n-propyl acetate 1570.67
    acetic acid 1671.03
    dichloromethane 6503.34
    cyclohexanone 3446.52
    propylene glycol 469.42
    isopropyl acetate 1444.6
    DMAc 2620.96
    2-ethoxyethanol 1314.9
    isopentanol 1214.71
    n-heptane 48.81
    ethyl formate 1266.44
    1,2-dichloroethane 5426.63
    n-hexanol 875.45
    2-methoxyethanol 2399.07
    isobutyl acetate 809.82
    tetrachloromethane 430.8
    n-pentyl acetate 705.97
    transcutol 4790.63
    n-heptanol 274.58
    ethylbenzene 421.24
    MIBK 1100.7
    2-propoxyethanol 1363.23
    tert-butanol 1496.62
    MTBE 1619.02
    2-butoxyethanol 654.33
    propionic acid 1358.11
    o-xylene 421.67
    formic acid 385.53
    diethyl ether 2562.37
    m-xylene 460.18
    p-xylene 502.76
    chlorobenzene 1454.42
    dimethyl carbonate 616.03
    n-octane 21.01
    formamide 910.89
    cyclopentanone 3242.62
    2-pentanone 2527.83
    anisole 945.53
    cyclopentyl methyl ether 1534.62
    gamma-butyrolactone 2962.23
    1-methoxy-2-propanol 1655.74
    pyridine 3013.79
    3-pentanone 1612.88
    furfural 2051.26
    n-dodecane 18.12
    diethylene glycol 846.13
    diisopropyl ether 434.39
    tert-amyl alcohol 1058.0
    acetylacetone 2167.64
    n-hexadecane 22.35
    acetophenone 884.98
    methyl propionate 1961.15
    isopentyl acetate 1236.44
    trichloroethylene 6856.96
    n-nonanol 223.18
    cyclohexanol 1310.04
    benzyl alcohol 722.8
    2-ethylhexanol 469.11
    isooctanol 239.91
    dipropyl ether 758.51
    1,2-dichlorobenzene 1237.07
    ethyl lactate 440.22
    propylene carbonate 1449.13
    n-methylformamide 2073.5
    2-pentanol 938.72
    n-pentane 79.53
    1-propoxy-2-propanol 953.91
    1-methoxy-2-propyl acetate 1144.18
    2-(2-methoxypropoxy) propanol 616.6
    mesitylene 266.12
    ε-caprolactone 2214.99
    p-cymene 186.77
    epichlorohydrin 4150.84
    1,1,1-trichloroethane 2778.35
    2-aminoethanol 787.53
    morpholine-4-carbaldehyde 1986.36
    sulfolane 3400.77
    2,2,4-trimethylpentane 45.83
    2-methyltetrahydrofuran 2284.87
    n-hexyl acetate 861.49
    isooctane 37.0
    2-(2-butoxyethoxy)ethanol 952.38
    sec-butyl acetate 862.05
    tert-butyl acetate 1176.86
    decalin 101.69
    glycerin 473.07
    diglyme 2017.46
    acrylic acid 944.44
    isopropyl myristate 278.38
    n-butyric acid 2263.47
    acetyl acetate 1254.72
    di(2-ethylhexyl) phthalate 254.53
    ethyl propionate 1244.99
    nitromethane 3773.23
    1,2-diethoxyethane 1675.3
    benzonitrile 1071.81
    trioctyl phosphate 172.95
    1-bromopropane 2471.17
    gamma-valerolactone 3312.93
    n-decanol 156.18
    triethyl phosphate 318.89
    4-methyl-2-pentanol 391.63
    propionitrile 1901.79
    vinylene carbonate 1312.88
    1,1,2-trichlorotrifluoroethane 1923.27
    DMS 801.35
    cumene 244.24
    2-octanol 183.6
    2-hexanone 1543.33
    octyl acetate 349.13
    limonene 325.95
    1,2-dimethoxyethane 2297.18
    ethyl orthosilicate 297.8
    tributyl phosphate 262.22
    diacetone alcohol 1073.71
    N,N-dimethylaniline 508.86
    acrylonitrile 2115.48
    aniline 1092.54
    1,3-propanediol 1135.87
    bromobenzene 1590.21
    dibromomethane 3906.84
    1,1,2,2-tetrachloroethane 5444.34
    2-methyl-cyclohexyl acetate 564.32
    tetrabutyl urea 349.84
    diisobutyl methanol 233.94
    2-phenylethanol 612.86
    styrene 674.85
    dioctyl adipate 433.49
    dimethyl sulfate 912.91
    ethyl butyrate 969.4
    methyl lactate 614.91
    butyl lactate 519.6
    diethyl carbonate 577.0
    propanediol butyl ether 560.02
    triethyl orthoformate 515.82
    p-tert-butyltoluene 169.86
    methyl 4-tert-butylbenzoate 513.18
    morpholine 3895.89
    tert-butylamine 841.73
    n-dodecanol 116.4
    dimethoxymethane 2128.18
    ethylene carbonate 1204.52
    cyrene 495.58
    2-ethoxyethyl acetate 1019.46
    2-ethylhexyl acetate 893.78
    1,2,4-trichlorobenzene 1370.32
    4-methylpyridine 2562.43
    dibutyl ether 638.04
    2,6-dimethyl-4-heptanol 233.94
    DEF 2508.62
    dimethyl isosorbide 972.52
    tetrachloroethylene 2988.29
    eugenol 531.33
    triacetin 769.16
    span 80 496.47
    1,4-butanediol 414.0
    1,1-dichloroethane 3937.03
    2-methyl-1-pentanol 796.19
    methyl formate 1195.98
    2-methyl-1-butanol 1162.08
    n-decane 32.54
    butyronitrile 1943.25
    3,7-dimethyl-1-octanol 307.37
    1-chlorooctane 234.43
    1-chlorotetradecane 78.97
    n-nonane 31.13
    undecane 23.05
    tert-butylcyclohexane 79.8
    cyclooctane 46.03
    cyclopentanol 1179.59
    tetrahydropyran 3528.32
    tert-amyl methyl ether 906.31
    2,5,8-trioxanonane 1170.58
    1-hexene 796.07
    2-isopropoxyethanol 881.35
    2,2,2-trifluoroethanol 399.26
    methyl butyrate 1822.0

    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