Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester

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  • Identifiers

    CAS number
    30982-35-5

    Molecular formula
    C19H24O2

    SMILES
    CC1(C2CC=C(C1C2)CCOC(=O)CC3=CC=CC=C3)C

    Safety labels

  • Odor profile

    Fragrance
    Balsamic 65.36%
    Sweet 65.26%
    Floral 57.91%
    Rose 50.38%
    Woody 50.14%
    Fruity 50.08%
    Honey 49.42%
    Herbal 41.79%
    Spicy 34.93%
    Powdery 34.69%

     

    Flavor
    Sweet 56.15%
    Balsam 45.31%
    Floral 44.41%
    Rose 42.02%
    Honey 32.9%
    Woody 30.22%
    Waxy 28.47%
    Bitter 28.29%
    Herbal 28.26%
    Balsamic 27.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.14 (neutral)

    Molecular weight
    284.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    393°C

    Flash point

    • 150.77 ˚C est.

  • Synonyms

    • EINECS 250-412-1
    • DTXSID60865576
    • Benzeneacetic acid, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl ester
    • Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester
    • RefChem:562837
    • DTXCID20813972
    • 30982-35-5
    • 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl phenylacetate
    • 2-(6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL)ETHYL PHENYLACETATE
    • SCHEMBL15797661
    • FPJNFQPRCFYLDD-UHFFFAOYSA-N
    • NS00049312
    • 30982-35-5

  • Applications

    Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester (CAS 30982-35-5) is used primarily as a fragrance ingredient and fixative in perfumery, contributing a distinctive woody-musk aroma derived from its bulky terpenoid moiety; it is also incorporated into cosmetics and personal care formulations as a scent component, and into household products such as air fresheners and cleaners for fragrance enhancement. In industrial manufacturing it is employed as an aroma chemical intermediate in the synthesis of more complex fragrance compounds, and as a fragrance additive in coatings, inks, and other specialty applications where odor performance is important.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 375.59
    methanol 270.25
    isopropanol 260.51
    water 0.33
    ethyl acetate 612.84
    n-propanol 312.27
    acetone 515.47
    n-butanol 257.49
    acetonitrile 293.08
    DMF 498.23
    toluene 350.47
    isobutanol 170.29
    1,4-dioxane 919.05
    methyl acetate 450.85
    THF 1117.1
    2-butanone 455.03
    n-pentanol 105.17
    sec-butanol 139.44
    n-hexane 6.13
    ethylene glycol 38.16
    NMP 196.72
    cyclohexane 22.88
    DMSO 334.85
    n-butyl acetate 225.55
    n-octanol 38.82
    chloroform 1889.94
    n-propyl acetate 210.44
    acetic acid 188.58
    dichloromethane 1593.56
    cyclohexanone 440.04
    propylene glycol 64.99
    isopropyl acetate 325.59
    DMAc 438.51
    2-ethoxyethanol 283.04
    isopentanol 190.05
    n-heptane 6.35
    ethyl formate 198.38
    1,2-dichloroethane 968.09
    n-hexanol 132.02
    2-methoxyethanol 527.15
    isobutyl acetate 153.3
    tetrachloromethane 96.88
    n-pentyl acetate 104.29
    transcutol 1510.54
    n-heptanol 50.98
    ethylbenzene 94.97
    MIBK 231.68
    2-propoxyethanol 407.37
    tert-butanol 200.8
    MTBE 272.24
    2-butoxyethanol 168.24
    propionic acid 169.0
    o-xylene 124.82
    formic acid 72.94
    diethyl ether 482.82
    m-xylene 176.95
    p-xylene 114.52
    chlorobenzene 380.79
    dimethyl carbonate 227.75
    n-octane 2.98
    formamide 174.96
    cyclopentanone 523.42
    2-pentanone 386.44
    anisole 265.03
    cyclopentyl methyl ether 354.37
    gamma-butyrolactone 500.35
    1-methoxy-2-propanol 435.78
    pyridine 549.66
    3-pentanone 323.93
    furfural 411.21
    n-dodecane 3.11
    diethylene glycol 284.23
    diisopropyl ether 93.64
    tert-amyl alcohol 120.11
    acetylacetone 443.13
    n-hexadecane 3.72
    acetophenone 197.19
    methyl propionate 449.65
    isopentyl acetate 203.19
    trichloroethylene 1538.74
    n-nonanol 41.39
    cyclohexanol 155.14
    benzyl alcohol 170.19
    2-ethylhexanol 64.78
    isooctanol 45.5
    dipropyl ether 113.17
    1,2-dichlorobenzene 300.33
    ethyl lactate 99.45
    propylene carbonate 270.66
    n-methylformamide 262.64
    2-pentanol 136.43
    n-pentane 9.58
    1-propoxy-2-propanol 238.47
    1-methoxy-2-propyl acetate 364.26
    2-(2-methoxypropoxy) propanol 192.84
    mesitylene 82.68
    ε-caprolactone 355.13
    p-cymene 46.05
    epichlorohydrin 1108.82
    1,1,1-trichloroethane 567.61
    2-aminoethanol 112.12
    morpholine-4-carbaldehyde 428.81
    sulfolane 340.03
    2,2,4-trimethylpentane 6.37
    2-methyltetrahydrofuran 507.17
    n-hexyl acetate 139.64
    isooctane 6.84
    2-(2-butoxyethoxy)ethanol 293.41
    sec-butyl acetate 159.25
    tert-butyl acetate 281.58
    decalin 11.16
    glycerin 101.62
    diglyme 601.76
    acrylic acid 133.33
    isopropyl myristate 60.19
    n-butyric acid 282.37
    acetyl acetate 301.1
    di(2-ethylhexyl) phthalate 61.09
    ethyl propionate 207.51
    nitromethane 478.9
    1,2-diethoxyethane 398.14
    benzonitrile 204.82
    trioctyl phosphate 39.72
    1-bromopropane 417.2
    gamma-valerolactone 679.59
    n-decanol 32.26
    triethyl phosphate 72.15
    4-methyl-2-pentanol 89.84
    propionitrile 268.13
    vinylene carbonate 291.78
    1,1,2-trichlorotrifluoroethane 393.41
    DMS 211.75
    cumene 55.34
    2-octanol 29.1
    2-hexanone 172.75
    octyl acetate 73.56
    limonene 55.04
    1,2-dimethoxyethane 479.37
    ethyl orthosilicate 70.86
    tributyl phosphate 53.58
    diacetone alcohol 257.72
    N,N-dimethylaniline 126.63
    acrylonitrile 297.89
    aniline 310.17
    1,3-propanediol 234.62
    bromobenzene 410.63
    dibromomethane 867.66
    1,1,2,2-tetrachloroethane 1142.19
    2-methyl-cyclohexyl acetate 117.94
    tetrabutyl urea 64.66
    diisobutyl methanol 46.73
    2-phenylethanol 168.98
    styrene 129.19
    dioctyl adipate 92.96
    dimethyl sulfate 233.41
    ethyl butyrate 154.04
    methyl lactate 169.41
    butyl lactate 96.84
    diethyl carbonate 110.78
    propanediol butyl ether 131.45
    triethyl orthoformate 113.89
    p-tert-butyltoluene 45.01
    methyl 4-tert-butylbenzoate 148.65
    morpholine 927.19
    tert-butylamine 104.2
    n-dodecanol 24.93
    dimethoxymethane 668.05
    ethylene carbonate 269.82
    cyrene 143.88
    2-ethoxyethyl acetate 263.51
    2-ethylhexyl acetate 151.12
    1,2,4-trichlorobenzene 340.43
    4-methylpyridine 492.14
    dibutyl ether 79.45
    2,6-dimethyl-4-heptanol 46.73
    DEF 276.79
    dimethyl isosorbide 313.48
    tetrachloroethylene 556.03
    eugenol 144.55
    triacetin 203.64
    span 80 119.6
    1,4-butanediol 61.44
    1,1-dichloroethane 864.83
    2-methyl-1-pentanol 94.15
    methyl formate 200.31
    2-methyl-1-butanol 143.66
    n-decane 4.96
    butyronitrile 240.52
    3,7-dimethyl-1-octanol 56.52
    1-chlorooctane 33.02
    1-chlorotetradecane 13.86
    n-nonane 4.06
    undecane 3.77
    tert-butylcyclohexane 9.35
    cyclooctane 7.4
    cyclopentanol 145.81
    tetrahydropyran 743.92
    tert-amyl methyl ether 149.23
    2,5,8-trioxanonane 355.03
    1-hexene 40.19
    2-isopropoxyethanol 192.34
    2,2,2-trifluoroethanol 97.32
    methyl butyrate 218.09

    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