[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate

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  • Identifiers

    CAS number
    72152-81-9

    Molecular formula
    C18H22O2

    SMILES
    CC1=CC[C@H](C[C@H]1OC(=O)CC2=CC=CC=C2)C(=C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 77.15%
    Fruity 73.55%
    Herbal 54.66%
    Spicy 50.08%
    Balsamic 44.07%
    Floral 43.02%
    Mint 41.92%
    Honey 37.6%
    Rose 32.48%
    Woody 31.92%

     

    Flavor
    Floral 44.28%
    Sweet 34.77%
    Herbal 31.26%
    Fresh 30.72%
    Spice 29.07%
    Minty 28.94%
    Balsam 27.95%
    Honey 26.54%
    Mint 24.8%
    Spicy 24.6%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    6.77 (neutral)

    Molecular weight
    270.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Flash point

    • 154.55 ˚C est.

  • Synonyms

    • Carvyl phenylacetate
    • 72152-81-9
    • [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate
    • 72152-81-9

  • Applications

    The compound [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate is typically used in fragrance chemistry as a fragrance ingredient and as an intermediate for the synthesis of related aroma compounds. In cosmetics and personal care, it can function as a scent component; in household products (detergents, cleaners, air fresheners), it contributes a floral or green note. It is also used as a scented additive in coatings and inks, and as an intermediate in industrial manufacturing for the preparation of other aroma chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 723.02
    methanol 613.2
    isopropanol 417.15
    water 0.1
    ethyl acetate 720.15
    n-propanol 545.92
    acetone 324.17
    n-butanol 477.51
    acetonitrile 344.09
    DMF 443.08
    toluene 426.25
    isobutanol 306.44
    1,4-dioxane 1237.58
    methyl acetate 497.73
    THF 880.0
    2-butanone 559.14
    n-pentanol 319.97
    sec-butanol 418.11
    n-hexane 13.88
    ethylene glycol 32.6
    NMP 205.49
    cyclohexane 29.67
    DMSO 416.86
    n-butyl acetate 350.39
    n-octanol 72.46
    chloroform 1965.37
    n-propyl acetate 291.44
    acetic acid 217.83
    dichloromethane 1518.2
    cyclohexanone 478.27
    propylene glycol 108.21
    isopropyl acetate 346.63
    DMAc 744.22
    2-ethoxyethanol 468.2
    isopentanol 378.84
    n-heptane 7.87
    ethyl formate 221.92
    1,2-dichloroethane 998.31
    n-hexanol 292.38
    2-methoxyethanol 656.25
    isobutyl acetate 185.15
    tetrachloromethane 80.72
    n-pentyl acetate 137.38
    transcutol 2051.26
    n-heptanol 91.09
    ethylbenzene 186.23
    MIBK 244.24
    2-propoxyethanol 540.97
    tert-butanol 363.69
    MTBE 407.18
    2-butoxyethanol 223.6
    propionic acid 193.22
    o-xylene 169.28
    formic acid 67.15
    diethyl ether 658.33
    m-xylene 192.97
    p-xylene 186.38
    chlorobenzene 385.12
    dimethyl carbonate 150.33
    n-octane 3.67
    formamide 152.06
    cyclopentanone 394.98
    2-pentanone 384.17
    anisole 419.07
    cyclopentyl methyl ether 315.03
    gamma-butyrolactone 367.18
    1-methoxy-2-propanol 511.22
    pyridine 796.57
    3-pentanone 318.29
    furfural 391.23
    n-dodecane 4.14
    diethylene glycol 292.25
    diisopropyl ether 104.59
    tert-amyl alcohol 318.77
    acetylacetone 386.42
    n-hexadecane 4.97
    acetophenone 281.0
    methyl propionate 413.45
    isopentyl acetate 316.31
    trichloroethylene 1546.87
    n-nonanol 74.63
    cyclohexanol 256.97
    benzyl alcohol 292.52
    2-ethylhexanol 131.91
    isooctanol 80.9
    dipropyl ether 166.62
    1,2-dichlorobenzene 310.3
    ethyl lactate 120.84
    propylene carbonate 238.13
    n-methylformamide 209.3
    2-pentanol 283.23
    n-pentane 13.29
    1-propoxy-2-propanol 341.6
    1-methoxy-2-propyl acetate 398.09
    2-(2-methoxypropoxy) propanol 270.92
    mesitylene 94.46
    ε-caprolactone 402.27
    p-cymene 67.1
    epichlorohydrin 972.97
    1,1,1-trichloroethane 515.16
    2-aminoethanol 155.6
    morpholine-4-carbaldehyde 451.38
    sulfolane 284.24
    2,2,4-trimethylpentane 11.2
    2-methyltetrahydrofuran 575.37
    n-hexyl acetate 188.64
    isooctane 9.69
    2-(2-butoxyethoxy)ethanol 433.82
    sec-butyl acetate 237.42
    tert-butyl acetate 280.91
    decalin 20.52
    glycerin 119.62
    diglyme 809.25
    acrylic acid 130.78
    isopropyl myristate 78.57
    n-butyric acid 379.28
    acetyl acetate 281.4
    di(2-ethylhexyl) phthalate 85.69
    ethyl propionate 271.84
    nitromethane 404.96
    1,2-diethoxyethane 627.83
    benzonitrile 287.01
    trioctyl phosphate 50.74
    1-bromopropane 525.47
    gamma-valerolactone 597.34
    n-decanol 57.26
    triethyl phosphate 94.43
    4-methyl-2-pentanol 149.24
    propionitrile 339.58
    vinylene carbonate 235.05
    1,1,2-trichlorotrifluoroethane 392.95
    DMS 214.76
    cumene 99.32
    2-octanol 55.46
    2-hexanone 275.47
    octyl acetate 95.87
    limonene 87.11
    1,2-dimethoxyethane 722.87
    ethyl orthosilicate 97.97
    tributyl phosphate 72.7
    diacetone alcohol 304.83
    N,N-dimethylaniline 212.59
    acrylonitrile 325.69
    aniline 381.84
    1,3-propanediol 310.78
    bromobenzene 404.95
    dibromomethane 948.12
    1,1,2,2-tetrachloroethane 1303.41
    2-methyl-cyclohexyl acetate 159.95
    tetrabutyl urea 91.13
    diisobutyl methanol 74.41
    2-phenylethanol 258.7
    styrene 248.51
    dioctyl adipate 120.96
    dimethyl sulfate 153.61
    ethyl butyrate 237.25
    methyl lactate 143.1
    butyl lactate 124.8
    diethyl carbonate 161.93
    propanediol butyl ether 193.96
    triethyl orthoformate 155.02
    p-tert-butyltoluene 63.06
    methyl 4-tert-butylbenzoate 181.08
    morpholine 1392.41
    tert-butylamine 194.63
    n-dodecanol 42.08
    dimethoxymethane 531.53
    ethylene carbonate 217.11
    cyrene 177.3
    2-ethoxyethyl acetate 293.79
    2-ethylhexyl acetate 231.53
    1,2,4-trichlorobenzene 344.7
    4-methylpyridine 699.65
    dibutyl ether 144.53
    2,6-dimethyl-4-heptanol 74.41
    DEF 393.2
    dimethyl isosorbide 400.67
    tetrachloroethylene 610.03
    eugenol 194.87
    triacetin 203.07
    span 80 183.49
    1,4-butanediol 111.92
    1,1-dichloroethane 810.17
    2-methyl-1-pentanol 283.09
    methyl formate 129.83
    2-methyl-1-butanol 337.51
    n-decane 6.68
    butyronitrile 356.5
    3,7-dimethyl-1-octanol 110.64
    1-chlorooctane 50.65
    1-chlorotetradecane 20.29
    n-nonane 5.44
    undecane 5.07
    tert-butylcyclohexane 18.45
    cyclooctane 8.0
    cyclopentanol 173.87
    tetrahydropyran 989.19
    tert-amyl methyl ether 264.74
    2,5,8-trioxanonane 527.7
    1-hexene 121.78
    2-isopropoxyethanol 323.55
    2,2,2-trifluoroethanol 61.05
    methyl butyrate 334.4

    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