Isobornyl phenylacetate

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  • Identifiers

    CAS number
    94022-06-7

    Molecular formula
    C18H24O2

    SMILES
    CC1(C2CCC1(C(C2)OC(=O)CC3=CC=CC=C3)C)C

  • Odor profile

    Fragrance
    Balsamic 69.58%
    Woody 61.57%
    Herbal 53.67%
    Amber 40.44%
    Dry 37.11%
    Pine 36.55%
    Spicy 33.96%
    Cedar 32.2%
    Camphoreous 31.88%
    Fruity 31.66%

     

    Flavor
    Woody 53.45%
    Sweet 50.61%
    Balsam 42.7%
    Herbal 42.37%
    Bitter 34.6%
    Camphor 29.56%
    Floral 28.66%
    Green 25.96%
    Pine 25.74%
    Rose 25.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    6.07 (neutral)

    Molecular weight
    272.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point

    • 128.73 ˚C est.

  • Synonyms

    • Isobornyl phenylacetate
    • 94022-06-7
    • EINECS 301-499-0
    • 1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl phenylacetate
    • (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-phenylacetate
    • DTXSID20869176
    • OVTUPLGIFCUERT-UHFFFAOYSA-N
    • AKOS019032568
    • NS00064268
    • 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl phenylacetate

  • Applications

    Isobornyl phenylacetate (CAS 94022-06-7) is commonly used as a fragrance ingredient and fixative in perfumery, and as a fragrance component in cosmetic and personal care products. It is also employed as a fragrance additive in household products and cleaning formulations, contributing to the scent in products such as fabric softeners and detergents. In industrial contexts, it can function as an odorant or aromatic component in coatings, inks, and polymer formulations. Additionally, it may be evaluated as an intermediate in fragrance synthesis within chemical manufacturing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 909.41
    methanol 917.2
    isopropanol 810.63
    water 4.18
    ethyl acetate 1990.64
    n-propanol 820.04
    acetone 1692.26
    n-butanol 694.26
    acetonitrile 1381.89
    DMF 2049.52
    toluene 857.97
    isobutanol 578.52
    1,4-dioxane 3148.99
    methyl acetate 1918.12
    THF 2528.61
    2-butanone 1593.3
    n-pentanol 348.62
    sec-butanol 558.04
    n-hexane 35.1
    ethylene glycol 149.74
    NMP 614.58
    cyclohexane 100.66
    DMSO 846.14
    n-butyl acetate 796.62
    n-octanol 150.09
    chloroform 4260.1
    n-propyl acetate 883.42
    acetic acid 570.44
    dichloromethane 3387.12
    cyclohexanone 1254.14
    propylene glycol 228.47
    isopropyl acetate 1272.35
    DMAc 1594.72
    2-ethoxyethanol 906.44
    isopentanol 568.31
    n-heptane 29.27
    ethyl formate 806.54
    1,2-dichloroethane 2083.04
    n-hexanol 432.56
    2-methoxyethanol 1451.15
    isobutyl acetate 596.71
    tetrachloromethane 367.54
    n-pentyl acetate 368.46
    transcutol 2482.81
    n-heptanol 179.67
    ethylbenzene 420.4
    MIBK 741.4
    2-propoxyethanol 1149.05
    tert-butanol 804.42
    MTBE 1017.79
    2-butoxyethanol 521.15
    propionic acid 573.37
    o-xylene 418.61
    formic acid 256.57
    diethyl ether 1244.82
    m-xylene 490.05
    p-xylene 678.47
    chlorobenzene 1082.91
    dimethyl carbonate 793.49
    n-octane 15.63
    formamide 847.99
    cyclopentanone 1390.19
    2-pentanone 1083.67
    anisole 1123.06
    cyclopentyl methyl ether 790.06
    gamma-butyrolactone 1496.38
    1-methoxy-2-propanol 1199.73
    pyridine 1730.4
    3-pentanone 941.33
    furfural 1282.56
    n-dodecane 15.25
    diethylene glycol 753.24
    diisopropyl ether 358.58
    tert-amyl alcohol 494.53
    acetylacetone 1620.26
    n-hexadecane 18.5
    acetophenone 758.98
    methyl propionate 1406.31
    isopentyl acetate 721.72
    trichloroethylene 3507.81
    n-nonanol 157.51
    cyclohexanol 417.63
    benzyl alcohol 592.02
    2-ethylhexanol 218.61
    isooctanol 158.65
    dipropyl ether 392.2
    1,2-dichlorobenzene 943.04
    ethyl lactate 340.64
    propylene carbonate 899.82
    n-methylformamide 1117.47
    2-pentanol 427.3
    n-pentane 41.02
    1-propoxy-2-propanol 708.43
    1-methoxy-2-propyl acetate 1114.16
    2-(2-methoxypropoxy) propanol 541.06
    mesitylene 296.47
    ε-caprolactone 996.29
    p-cymene 169.56
    epichlorohydrin 2383.33
    1,1,1-trichloroethane 1836.23
    2-aminoethanol 406.91
    morpholine-4-carbaldehyde 1463.62
    sulfolane 867.5
    2,2,4-trimethylpentane 28.37
    2-methyltetrahydrofuran 1327.34
    n-hexyl acetate 470.14
    isooctane 30.27
    2-(2-butoxyethoxy)ethanol 726.91
    sec-butyl acetate 712.54
    tert-butyl acetate 1059.18
    decalin 59.65
    glycerin 291.96
    diglyme 1667.06
    acrylic acid 444.38
    isopropyl myristate 218.66
    n-butyric acid 838.82
    acetyl acetate 1232.63
    di(2-ethylhexyl) phthalate 188.12
    ethyl propionate 886.73
    nitromethane 2006.23
    1,2-diethoxyethane 1104.71
    benzonitrile 789.0
    trioctyl phosphate 120.74
    1-bromopropane 935.14
    gamma-valerolactone 1988.88
    n-decanol 122.97
    triethyl phosphate 238.69
    4-methyl-2-pentanol 293.36
    propionitrile 1094.61
    vinylene carbonate 1026.72
    1,1,2-trichlorotrifluoroethane 936.26
    DMS 814.22
    cumene 251.48
    2-octanol 125.33
    2-hexanone 702.36
    octyl acetate 250.85
    limonene 187.12
    1,2-dimethoxyethane 1847.35
    ethyl orthosilicate 228.8
    tributyl phosphate 169.61
    diacetone alcohol 814.98
    N,N-dimethylaniline 543.96
    acrylonitrile 1346.52
    aniline 830.85
    1,3-propanediol 689.64
    bromobenzene 1173.52
    dibromomethane 1897.37
    1,1,2,2-tetrachloroethane 2615.55
    2-methyl-cyclohexyl acetate 389.75
    tetrabutyl urea 201.96
    diisobutyl methanol 160.26
    2-phenylethanol 596.28
    styrene 565.74
    dioctyl adipate 303.57
    dimethyl sulfate 751.22
    ethyl butyrate 581.98
    methyl lactate 507.43
    butyl lactate 295.19
    diethyl carbonate 462.48
    propanediol butyl ether 329.94
    triethyl orthoformate 364.44
    p-tert-butyltoluene 171.85
    methyl 4-tert-butylbenzoate 490.75
    morpholine 2610.0
    tert-butylamine 453.6
    n-dodecanol 97.62
    dimethoxymethane 2022.84
    ethylene carbonate 935.15
    cyrene 390.98
    2-ethoxyethyl acetate 788.53
    2-ethylhexyl acetate 532.43
    1,2,4-trichlorobenzene 946.06
    4-methylpyridine 1586.88
    dibutyl ether 282.54
    2,6-dimethyl-4-heptanol 160.26
    DEF 990.77
    dimethyl isosorbide 908.79
    tetrachloroethylene 1404.9
    eugenol 480.7
    triacetin 591.85
    span 80 351.47
    1,4-butanediol 225.22
    1,1-dichloroethane 2070.36
    2-methyl-1-pentanol 316.39
    methyl formate 835.77
    2-methyl-1-butanol 446.59
    n-decane 24.2
    butyronitrile 906.15
    3,7-dimethyl-1-octanol 205.45
    1-chlorooctane 126.68
    1-chlorotetradecane 59.12
    n-nonane 20.21
    undecane 18.59
    tert-butylcyclohexane 50.82
    cyclooctane 34.65
    cyclopentanol 462.05
    tetrahydropyran 1835.82
    tert-amyl methyl ether 557.71
    2,5,8-trioxanonane 1050.03
    1-hexene 186.07
    2-isopropoxyethanol 615.04
    2,2,2-trifluoroethanol 354.46
    methyl butyrate 986.96

    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